OpenMolDB

N,N'-bis(5-amino-3-azapentyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6- deoxy-b-cyclodextrin)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0226	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[N,N'-bis(5-amino-3-azapentyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6- deoxy-b-cyclodextrin)](1).[brilliant green]	3.84	7.2	25.0	UV-vis spectroscopy	Yu Liu 2001
[N,N'-bis(5-amino-3-azapentyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6- deoxy-b-cyclodextrin)](1).[methyl orange]	4.12	7.2	25.0	Circular dichroism spectroscopy	Yu Liu 2001
[N,N'-bis(5-amino-3-azapentyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6- deoxy-b-cyclodextrin)](1).[acridine red]	3.62	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(5-amino-3-azapentyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6- deoxy-b-cyclodextrin)](1).[acridine red]	3.69	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(5-amino-3-azapentyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6- deoxy-b-cyclodextrin)](1).[Rhodamine B]	3.67	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(5-amino-3-azapentyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6- deoxy-b-cyclodextrin)](1).[rhodamine B]	3.73	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(5-amino-3-azapentyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6- deoxy-b-cyclodextrin)](1).[ammonium 8-anilino-1-naphthalenesulfonic acid]	2.69	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(5-amino-3-azapentyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6- deoxy-b-cyclodextrin)](1).[sodium 6-(p-toludino)-2-naphthalenesulfonate]	3.64	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2001

N,N'-bis(8-amino-3,6-diazaoctyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0227	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[N,N'-bis(8-amino-3,6-diazaoctyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[brilliant green]	3.59	7.2	25.0	UV-vis spectroscopy	Yu Liu 2001
[N,N'-bis(8-amino-3,6-diazaoctyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[methyl orange]	4.62	7.2	25.0	Circular dichroism spectroscopy	Yu Liu 2001
[N,N'-bis(8-amino-3,6-diazaoctyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[acridine red]	4.16	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(8-amino-3,6-diazaoctyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[acridine red]	4.22	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(8-amino-3,6-diazaoctyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[Rhodamine B]	4.12	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(8-amino-3,6-diazaoctyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[rhodamine B]	4.18	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(8-amino-3,6-diazaoctyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[ammonium 8-anilino-1-naphthalenesulfonic acid]	3.22	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(8-amino-3,6-diazaoctyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[sodium 6-(p-toludino)-2-naphthalenesulfonate]	3.91	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2001

N,N'-bis(butyl)-1,4,5,8-naphthalenetetracarboxylic diimide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
414.45	8	4	4.45				JN_382	None		Not checked

SMILES: CCCCN=C(O)c1ccc(C(O)=NCCCC)c2c(ccc(C(O)=O)c12)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[N,N'-bis(butyl)-1,4,5,8-naphthalenetetracarboxylic diimide]	3.12					Sergio Brochsztain 2005

N,N-Diethylaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
149.23	1	0	2.53				nt1172	None		Not checked

SMILES: CCN(CC)c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N,N-Diethylaniline]	2.94			25.0		Kenneth A. Connors 1995

N,N-Diethylaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
149.23	1	0	2.53				nt1173	None		Not checked

SMILES: CCN(CC)c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

N,N-Dimethylaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
121.18	1	0	1.75				nt1200	None		Not checked

SMILES: CN(C)c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N,N-Dimethylaniline]	2.34			25.0		Kenneth A. Connors 1995

N,N-Dimethylaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
121.18	1	0	1.75				nt1201	None		Not checked

SMILES: CN(C)c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

N,N-Dimethylformamide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
73.09	2	0	0.34				nt1207	None		Not checked

SMILES: CN(C)C=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N,N-Dimethylformamide]	0.34			25.0		Kenneth A. Connors 1995

N,N-bis(6Adeoxy-b-cyclodextrin-6A-yl)urea

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0085	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[N,N-bis(6Adeoxy-b-cyclodextrin-6A-yl)urea](1).[E-4-tertbutylphenyl-4' -oxyazobenzene]	4.91	3.80	10.0	25.0	UV-vis spectroscopy	Stephen F. Lincoln 2005
[N,N-bis(6Adeoxy-b-cyclodextrin-6A-yl)urea](0.5).[E-4-tertbutylphenyl-4' -oxyazobenzene]	4.38	3.72	10.0	25.0	UV-vis spectroscopy	Stephen F. Lincoln 2005

N,N-diethyl-2-(1-naphthalenyloxy)propanamide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
271.35	3	0	3.48				SF_C1628	None		Not checked

SMILES: CCN(CC)C(=O)C(C)Oc1cccc2ccccc12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N,N-diethyl-2-(1-naphthalenyloxy)propanamide]	3.50		2.2	25.0	Fluorescence spectroscopy	Bo Tang 2004

N,N-dimethylaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
121.18	1	0	1.75				SF_C706	None		Not checked

SMILES: CN(C)c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6-Deoxy-6-oxetane-b-cyclodextrin](1).[N,N-dimethylaniline]	2.89		7.0	25.0	Fluorescence spectroscopy	Qin-Hua Song 2006

N,N’-Bis(2-aminoethyl)-2,2’-biquinoline-4,4’-dicarboxamide-bridged bis-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0083	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[N,N’-Bis(2-aminoethyl)-2,2’-biquinoline-4,4’-dicarboxamide-bridged bis-b-CD](2).[cholate]	4.05	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[N,N’-Bis(2-aminoethyl)-2,2’-biquinoline-4,4’-dicarboxamide-bridged bis-b-CD](2).[deoxycholate]	4.34	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[N,N’-Bis(2-aminoethyl)-2,2’-biquinoline-4,4’-dicarboxamide-bridged bis-b-CD](2).[taurocholate]	3.78	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[N,N’-Bis(2-aminoethyl)-2,2’-biquinoline-4,4’-dicarboxamide-bridged bis-b-CD](2).[glycocholate]	4.04	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[N,N’-Bis(2-aminoethyl)-2,2’-biquinoline-4,4’-dicarboxamide-bridged bis-b-CD](1).[cholate]	4.05	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2004
[N,N’-Bis(2-aminoethyl)-2,2’-biquinoline-4,4’-dicarboxamide-bridged bis-b-CD](1).[deoxycholate]	4.34	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2004
[N,N’-Bis(2-aminoethyl)-2,2’-biquinoline-4,4’-dicarboxamide-bridged bis-b-CD](1).[glycocholate]	4.04	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2004

N,N’-Bis(5-amino-3-azapentyl)-2,2’-biquinoline-4,4’-dicarboxamide-bridgedbis(6-amino-6-deoxy-b-CyD)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0084	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[N,N’-Bis(5-amino-3-azapentyl)-2,2’-biquinoline-4,4’-dicarboxamide-bridgedbis(6-amino-6-deoxy-b-CyD)](1).[cholate]	3.53		7.0	25.0	Fluorescence spectroscopy	Yu Liu 2004
[N,N’-Bis(5-amino-3-azapentyl)-2,2’-biquinoline-4,4’-dicarboxamide-bridgedbis(6-amino-6-deoxy-b-CyD)](1).[deoxycholate]	3.57		7.0	25.0	Fluorescence spectroscopy	Yu Liu 2004

N-(1,1-dimethylethyl)-4-aminobenzene-1,2-dicarboximide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
218.25	4	1	2.18				SF_C178	None		Not checked

SMILES: CC(C)(C)N1C(=O)c2ccc(N)cc2C1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-(1,1-dimethylethyl)-4-aminobenzene-1,2-dicarboximide]	3.51		7.0	25.0	Fluorescence spectroscopy	Noelle Martine Gosselet 2005
[b-CDN+ copolymer](1).[N-(1,1-dimethylethyl)-4-aminobenzene-1,2-dicarboximide]	3.42		7.0	25.0	Fluorescence spectroscopy	Noelle Martine Gosselet 2005

N-(1,1-dimethylethyl)-4-hydroxybenzene-1,2-dicarboximide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
219.24	4	1	1.72				SF_C177	None		Not checked

SMILES: CC(C)(C)N1C(=O)c2ccc(O)cc2C1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-(1,1-dimethylethyl)-4-hydroxybenzene-1,2-dicarboximide]	3.47		2.5	25.0	Fluorescence spectroscopy	Noelle Martine Gosselet 2005
[b-CDN+ copolymer](1).[N-(1,1-dimethylethyl)-4-hydroxybenzene-1,2-dicarboximide]	3.47		2.5	25.0	Fluorescence spectroscopy	Noelle Martine Gosselet 2005