2,3-O-benzylidene-L-threitol

MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
210.23 4 2 0.45 SF_C1038 None Not checked

SMILES: C1=CC=C(C=C1)C2O[C@H]([C@@H](O2)CO)CO

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[2,3-O-benzylidene-L-threitol ] 2.07 0.30 6.9 25.0 Microcalorimetry Yoshihisa Inoue 2000

2,3-diazabicyclo[2.2.2]oct-2-ene
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
110.16 2 0 0.63 SF_C741 None Not checked

SMILES: C1CC2CCC1N=N2

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[2,3-diazabicyclo[2.2.2]oct-2-ene] 1.70 1.00 7.0 25.0 NMR spectroscopy Werner M. Nau 1999
[b-Cyclodextrin](1).[2,3-diazabicyclo[2.2.2]oct-2-ene] 3.04 2.48 7.0 25.0 NMR spectroscopy Werner M. Nau 1999
[b-Cyclodextrin](1).[2,3-diazabicyclo[2.2.2]oct-2-ene] 2.95 2.00 7.0 25.0 UV-vis spectroscopy Werner M. Nau 1999
[g-Cyclodextrin](1).[2,3-diazabicyclo[2.2.2]oct-2-ene] 0.78 0.48 7.0 25.0 NMR spectroscopy Werner M. Nau 1999

2,3-dihydroxinaphtalene
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None SF_C101 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2,3-dihydroxinaphtalene] 2.14 1.15 SPR experiments Michael J. Sepaniak 2003
[Heptakis(6-O-tert-butyldimethylsilyl-2,3-di-O-acetyl)-b-CD](1).[2,3-dihydroxinaphtalene] 2.45 1.54 SPR experiments Michael J. Sepaniak 2003

2,3-naphthalenedicarboxylic acid, 1,4-dihydroxy-diethyl ester
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None SF_C1510 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[2,3-naphthalenedicarboxylic acid, 1,4-dihydroxy-diethyl ester] 2.75 1.36 1.6 20.0 Fluorescence spectroscopy Bo Tang 2002
[b-Cyclodextrin](1).[2,3-naphthalenedicarboxylic acid, 1,4-dihydroxy-diethyl ester] 2.84 1.6 10.0 Fluorescence spectroscopy Bo Tang 2002
[b-Cyclodextrin](1).[2,3-naphthalenedicarboxylic acid, 1,4-dihydroxy-diethyl ester] 2.65 1.6 30.0 Fluorescence spectroscopy Bo Tang 2002
[b-Cyclodextrin](1).[2,3-naphthalenedicarboxylic acid, 1,4-dihydroxy-diethyl ester] 2.53 1.6 40.0 Fluorescence spectroscopy Bo Tang 2002
[b-Cyclodextrin](1).[2,3-naphthalenedicarboxylic acid, 1,4-dihydroxy-diethyl ester] 2.42 1.6 50.0 Fluorescence spectroscopy Bo Tang 2002

2,3-naphthalimide
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
197.19 3 1 2.05 NT_c0218 None Not checked

SMILES: O=C(C1=CC2=C(C=CC=C2)C=C13)NC3=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[2,3-naphthalimide] 2.89 7.0 25.0 UV and fluorescence spectroscopy Mario J. Politi 1997
[g-Cyclodextrin](1).[2,3-naphthalimide] 1.78 7.0 25.0 UV and fluorescence spectroscopy Mario J. Politi 1997

2,4,6-trichlorophenol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
197.45 1 1 3.35 SF_C880 None Not checked

SMILES: Oc1c(Cl)cc(Cl)cc1Cl

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[2,4,6-trichlorophenol] 2.01 3.0 24.0 UV-vis spectroscopy K. Hanna 2003
[b-Cyclodextrin](1).[2,4,6-trichlorophenol] 0.95 8.8 24.0 UV-vis spectroscopy K. Hanna 2003
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[2,4,6-trichlorophenol] 2.45 3.0 24.0 UV-vis spectroscopy K. Hanna 2003
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[2,4,6-trichlorophenol] 1.52 8.8 24.0 UV-vis spectroscopy K. Hanna 2003
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2,4,6-trichlorophenol] 2.41 3.0 24.0 UV-vis spectroscopy K. Hanna 2003
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2,4,6-trichlorophenol] 1.18 8.8 24.0 UV-vis spectroscopy K. Hanna 2003

2,4,7-triamino-6-phenylpteridine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
253.26 7 3 2.58 SF_C965 None Not checked

SMILES: Nc1nc(N)c2nc(c3ccccc3)c(N)nc2n1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[2,4,7-triamino-6-phenylpteridine] 2.22 7.0 25.0 UV-vis spectroscopy MS Nagarsenker 2004

2,4-Dihydroxybenzoic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
154.12 4 3 0.80 nt1187 None Not checked

SMILES: OC(=O)c1ccc(O)cc1O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[2,4-Dihydroxybenzoic acid] 3.12 25.0 Kenneth A. Connors 1995

2,4-dichlorophenol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
163.00 1 1 2.70 SF_C782 None Not checked

SMILES: Oc1ccc(Cl)cc1Cl

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[2,4-dichlorophenol] 2.32 1.43 2.0 20.0 UV-vis spectroscopy Miguel A. Garcia-Garibay 2001
[a-Cyclodextrin](1).[2,4-dichlorophenol] 2.61 1.23 7.0 20.0 NMR spectroscopy Miguel A. Garcia-Garibay 2001
[b-Cyclodextrin](1).[2,4-dichlorophenol] 2.54 1.36 4.5 20.0 UV-vis spectroscopy Miguel A. Garcia-Garibay 2001
[b-Cyclodextrin](1).[2,4-dichlorophenol] 2.75 1.23 7.0 20.0 NMR spectroscopy Miguel A. Garcia-Garibay 2001

2,4-dichlorophenoxyacetic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
221.04 3 1 2.46 SF_C1212 None Not checked

SMILES: OC(=O)COc1ccc(Cl)cc1Cl

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2,4-dichlorophenoxyacetic acid] 1.80 5.0 25.0 Fluorescence spectroscopy J. M. Bosque-Sendra 2003
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2,4-dichlorophenoxyacetic acid] 1.99 7.0 25.0 UV-vis spectroscopy Jose I. Perez-Martinez 2000

2,4-dichlorophenoxyacetic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
221.04 3 1 2.46 SF_C1739 None Not checked

SMILES: OC(=O)COc1ccc(Cl)cc1Cl

Supramolecules

Namelog KSDpHT(°C)MethodRef

2,4-dichlorophenoxyacetic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
221.04 3 1 2.46 SF_C755 None Not checked

SMILES: OC(=O)COc1ccc(Cl)cc1Cl

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[2,4-dichlorophenoxyacetic acid] 1.98 7.0 25.0 UV-vis spectroscopy J. I. Perez-Martinez 2000
[a-Cyclodextrin](2).[2,4-dichlorophenoxyacetic acid] 0.81 7.0 25.0 UV-vis spectroscopy J. I. Perez-Martinez 2000
[b-Cyclodextrin](1).[2,4-dichlorophenoxyacetic acid] 2.53 7.0 25.0 UV-vis spectroscopy J. I. Perez-Martinez 2000
[b-Cyclodextrin](1).[2,4-dichlorophenoxyacetic acid] 2.53 25.0 X-ray diffraction, differential scanning calorimetry, infrared spectroscopy, scanning electron microscopy Pedro J. Sanchez-Soto 1996