6,6’-[2,2’-oxamidobis(benzoylamino)]ethyleneamino-6,6’-deoxy-bis(b-CD)
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None VD-0294 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[6,6’-[2,2’-oxamidobis(benzoylamino)]ethyleneamino-6,6’-deoxy-bis(b-CD)](1).[sodium cholate] 4.27 7.2 25.0 Fluorescence spectroscopy Yu Liu 2006
[6,6’-[2,2’-oxamidobis(benzoylamino)]ethyleneamino-6,6’-deoxy-bis(b-CD)](1).[sodium deoxycholate] 4.09 7.2 25.0 Fluorescence spectroscopy Yu Liu 2006

6,6’-[4,4’-oxamidobis(benzoylamino)]-diethylenediamino-6,6’-deoxy- bis(b-CD)
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None VD-0292 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[6,6’-[4,4’-oxamidobis(benzoylamino)]-diethylenediamino-6,6’-deoxy- bis(b-CD)](1).[sodium cholate] 3.95 7.2 25.0 Fluorescence spectroscopy Yu Liu 2006
[6,6’-[4,4’-oxamidobis(benzoylamino)]-diethylenediamino-6,6’-deoxy- bis(b-CD)](1).[sodium deoxycholate] 3.27 7.2 25.0 Fluorescence spectroscopy Yu Liu 2006

6,6’-[4,4’-oxamidobis(benzoylamino)]ethyleneamino-6,6’-deoxy-bis(b-CD)
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None VD-0295 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[6,6’-[4,4’-oxamidobis(benzoylamino)]ethyleneamino-6,6’-deoxy-bis(b-CD)](1).[sodium cholate] 4.08 7.2 25.0 Fluorescence spectroscopy Yu Liu 2006
[6,6’-[4,4’-oxamidobis(benzoylamino)]ethyleneamino-6,6’-deoxy-bis(b-CD)](1).[sodium deoxycholate] 4.06 7.2 25.0 Fluorescence spectroscopy Yu Liu 2006

6-(4-tert-butylanilino)-2-naphthalenesulfonate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
354.44 3 1 5.94 SF_C1330 None Not checked

SMILES: CC(C)(C)c1ccc(Nc2ccc3cc(ccc3c2)[S]([O-])(=O)=O)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[BCD dimer derivative 2](1).[6-(4-tert-butylanilino)-2-naphthalenesulfonate] 6.70 7.0 25.0 Circular dichroism spectroscopy Ronald Breslow 1989
[BCD dimer derivative 2](1).[6-(4-tert-butylanilino)-2-naphthalenesulfonate] 5.30 7.0 25.0 Fluorescence spectroscopy Ronald Breslow 1990
[BCD dimer derivative 1](1).[6-(4-tert-butylanilino)-2-naphthalenesulfonate] 6.60 7.0 25.0 Fluorescence spectroscopy Ronald Breslow 1990
[b-CD-6,6'-disulfide](1).[6-(4-tert-butylanilino)-2-naphthalenesulfonate] 6.70 7.0 25.0 Fluorescence spectroscopy Ronald Breslow 1990
[bis-b-CD derivative 1](1).[6-(4-tert-butylanilino)-2-naphthalenesulfonate] 4.90 4.32 7.0 23.0 Fluorescence spectroscopy Russell C. Petter 1991
[bis-b-CD derivative 2](1).[6-(4-tert-butylanilino)-2-naphthalenesulfonate] 6.91 6.08 7.0 23.0 Fluorescence spectroscopy Russell C. Petter 1991
[bis-b-CD derivative 3](1).[6-(4-tert-butylanilino)-2-naphthalenesulfonate] 6.41 5.18 7.0 23.0 Fluorescence spectroscopy Russell C. Petter 1991

6-(4-tert-butylanilino)-naphtalene-2-sulfonate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
354.44 3 1 5.94 NT_b0114 None Not checked

SMILES: O=S(C1=CC=C2C=C(NC3=CC=C(C(C)(C)C)C=C3)C=CC2=C1)([O-])=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[(b-CD)-S-(CH2)2-S-(b-CD)](1).[6-(4-tert-butylanilino)-naphtalene-2-sulfonate] 6.91 7.0 25.0 fluorescence spectroscopy Lincoln, Stephen F. 1996
[(b-CD)-S-(CH2)6-S-(b-CD)](1).[6-(4-tert-butylanilino)-naphtalene-2-sulfonate] 5.18 7.0 25.0 fluorescence spectroscopy Lincoln, Stephen F. 1996
[(b-CD)-S-S-(b-CD)](1).[6-(4-tert-butylanilino)-naphtalene-2-sulfonate] 4.90 7.0 25.0 fluorescence spectroscopy Lincoln, Stephen F. 1996

6-(Dimethylamino)-adenosine

MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
312.33 10 4 -4.30 SF_C1771 None Not checked

SMILES: CN(C)C1(N)N=CN=C2N(CN=C12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[6-(Dimethylamino)-adenosine ] 2.11 1.02 7.0 25.0 Circular dichroism spectroscopy Bradley D. Anderson 1990

6-(Lipoylamido)-6-deoxy-b-cyclodextrin
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None VD-0005 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[6-(Lipoylamido)-6-deoxy-b-cyclodextrin](1).[bisphenols] 4.34 7.2 25.0 Fluorescence spectroscopy Hiromi Kitano 2005
[6-(Lipoylamido)-6-deoxy-b-cyclodextrin](1).[estradiol] 4.11 7.2 25.0 Fluorescence spectroscopy Hiromi Kitano 2005
[6-(Lipoylamido)-6-deoxy-b-cyclodextrin](1).[BPA-polymer] 5.18 7.2 25.0 Fluorescence spectroscopy Hiromi Kitano 2005

6-(m-toluidinyl)-6-deoxy-b-cyclodextrin
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None VD-0130 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[6-(m-toluidinyl)-6-deoxy-b-cyclodextrin].[(S)-2-Amino-propionic acid] 3.08 7.2 20.0 N.A. Liu, Yu; Yoshihisa Inoue 1998
[6-(m-toluidinyl)-6-deoxy-b-cyclodextrin].[(R)-2-Amino-propionic acid] 3.16 7.2 20.0 N.A. Liu, Yu; Yoshihisa Inoue 1998
[6-(m-toluidinyl)-6-deoxy-b-cyclodextrin].[(S)-2-Amino-3-hydroxy-propionic acid] 2.93 7.2 20.0 N.A. Liu, Yu; Yoshihisa Inoue 1998
[6-(m-toluidinyl)-6-deoxy-b-cyclodextrin].[(R)-2-Amino-3-hydroxy-propionic acid] 3.15 7.2 20.0 N.A. Liu, Yu; Yoshihisa Inoue 1998
[6-(m-toluidinyl)-6-deoxy-b-cyclodextrin].[(S)-2-Amino-3-methyl-butyric acid] 2.62 7.2 20.0 N.A. Liu, Yu; Yoshihisa Inoue 1998
[6-(m-toluidinyl)-6-deoxy-b-cyclodextrin].[(R)-2-Amino-3-methyl-butyric acid] 2.78 7.2 20.0 N.A. Liu, Yu; Yoshihisa Inoue 1998
[6-(m-toluidinyl)-6-deoxy-b-cyclodextrin].[(S)-2-Amino-4-methyl-pentanoic acid] 3.16 7.2 20.0 N.A. Liu, Yu; Yoshihisa Inoue 1998
[6-(m-toluidinyl)-6-deoxy-b-cyclodextrin].[(R)-2-Amino-4-methyl-pentanoic acid] 3.00 7.2 20.0 N.A. Liu, Yu; Yoshihisa Inoue 1998

6-(p-Toluidino)-2-naphthalenesulfonic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
313.37 4 2 5.29 SF_C1169 None Not checked

SMILES: Cc1ccc(Nc2ccc3cc(ccc3c2)[S](O)(=O)=O)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2,2'N-b-cyclodextrin dimers der. 7a](1).[6-(p-Toluidino)-2-naphthalenesulfonic acid] 3.56 2.30 9.0 Fluorescence spectroscopy A. Ruebner 1997
[2,2'N-b-cyclodextrin dimers der. 7b](1).[6-(p-Toluidino)-2-naphthalenesulfonic acid] 3.58 2.48 9.0 Fluorescence spectroscopy A. Ruebner 1997
[2,2'N-b-cyclodextrin dimers der. 7c](1).[6-(p-Toluidino)-2-naphthalenesulfonic acid] 3.74 2.48 9.0 Fluorescence spectroscopy A. Ruebner 1997
[2,2'N-b-cyclodextrin dimers der. 7d](1).[6-(p-Toluidino)-2-naphthalenesulfonic acid] 3.75 2.30 9.0 Fluorescence spectroscopy A. Ruebner 1997
[6,6'S-b-cyclodextrin dimers](1).[6-(p-Toluidino)-2-naphthalenesulfonic acid] 3.92 2.60 9.0 Fluorescence spectroscopy A. Ruebner 1997
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[6-(p-Toluidino)-2-naphthalenesulfonic acid] 3.92 2.30 9.0 Fluorescence spectroscopy A. Ruebner 1997

6-(p-toluidino)-2-naphtalene-6-sulfonate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
312.36 3 1 4.95 NT_a0010 None Not checked

SMILES: O=S(C1=CC=C2C=C(NC3=CC=C(C)C=C3)C=CC2=C1)([O-])=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 3.39 3.5 fluorometric titration Sakairi, Nobuo 1996
[b-Cyclodextrin](1).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 3.42 5.2 fluorometric titration Sakairi, Nobuo 1996
[b-Cyclodextrin](1).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 3.40 7.0 fluorometric titration Sakairi, Nobuo 1996
[b-Cyclodextrin](1).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 3.43 8.3 fluorometric titration Sakairi, Nobuo 1996
[b-Cyclodextrin](1).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 3.42 11.0 fluorometric titration Sakairi, Nobuo 1996
[b-Cyclodextrin](1).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 3.27 1.00 7.0 25.0 fluorescence spectroscopy Lincoln, Stephen F. 1996

6-(p-toluidino)-2-naphtalene-6-sulfonate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
312.36 3 1 4.95 NT_b0113 None Not checked

SMILES: O=S(C1=CC=C2C=C(NC3=CC=C(C)C=C3)C=CC2=C1)([O-])=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](2).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 1.93 0.70 7.0 25.0 fluorescence spectroscopy Lincoln, Stephen F. 1996
[(b-CD)2gl {N,N'-bis(6A-deoxy-6A-b-cyclodextrin)glutaramide}](1).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 4.11 1.30 7.0 25.0 fluorescence spectroscopy Lincoln, Stephen F. 1996
[(b-CD)2su {N,N'-bis(6A-deoxy-6A-b-cyclodextrin)succinamide}](1).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 4.22 1.30 7.0 25.0 fluorescence spectroscopy Lincoln, Stephen F. 1996
[(b-CD)2ma {N,N'-bis(6A-deoxy-6A-b-cyclodextrin)malonamide}](1).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 4.04 1.00 7.0 25.0 fluorescence spectroscopy Lincoln, Stephen F. 1996
[(b-CD)2ox {N,N'-bis(6A-deoxy-6A-b-cyclodextrin)oxalamide}](1).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 4.51 1.95 7.0 25.0 fluorescence spectroscopy Lincoln, Stephen F. 1996
[(b-CD)2ur {N,N'-bis(6A-deoxy-6A-b-cyclodextrin)urea}](1).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 4.66 1.85 7.0 25.0 fluorescence spectroscopy Lincoln, Stephen F. 1996
[(b-CD)2ur {N,N'-bis(6A-deoxy-6A-b-cyclodextrin)urea}](2).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 3.97 2.60 7.0 25.0 fluorescence spectroscopy Lincoln, Stephen F. 1996
[(b-CD)2su* {N,N'-bis(3A-deoxy-3A-b-cyclodextrin)succinamide}](1).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 4.02 2.30 7.0 25.0 fluorescence spectroscopy Lincoln, Stephen F. 1996
[(b-CD)2se* {N,N'-bis(3A-deoxy-3A-b-cyclodextrin)sebacamide}](1).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 3.83 2.48 7.0 25.0 fluorescence spectroscopy Lincoln, Stephen F. 1996
[BCD polymer](1).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 4.97 fluorescence spectroscopy Nobuhiko Yui 2006
[BCD polymer](2).[6-(p-toluidino)-2-naphtalene-6-sulfonate] 5.41 fluorescence spectroscopy Nobuhiko Yui 2006

6-Deoxy-6-amino{2-[4-(dimethylamino)phenylazo]benzoyl}-BCD (methyl red-modified BCD, "1")
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None VD-0136 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[6-Deoxy-6-amino{2-[4-(dimethylamino)phenylazo]benzoyl}-BCD (methyl red-modified BCD, "1")](1).[1-adamantanecarboxylic acid] 3.74 1.6 UV-vis spectroscopy, induced circular dichroism Tetsuo Kuwabara 1994
[6-Deoxy-6-amino{2-[4-(dimethylamino)phenylazo]benzoyl}-BCD (methyl red-modified BCD, "1")](1).[1-adamantanecarboxylic acid] 4.20 UV-vis spectroscopy, induced circular dichroism Tetsuo Kuwabara 1994
[6-Deoxy-6-amino{2-[4-(dimethylamino)phenylazo]benzoyl}-BCD (methyl red-modified BCD, "1")](1).[1-adamantanol] 2.86 1.6 UV-vis spectroscopy, induced circular dichroism Tetsuo Kuwabara 1994
[6-Deoxy-6-amino{2-[4-(dimethylamino)phenylazo]benzoyl}-BCD (methyl red-modified BCD, "1")](1).[1-adamantanol] 3.30 UV-vis spectroscopy, induced circular dichroism Tetsuo Kuwabara 1994