for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 15 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
GSK106 is a negative control compound that can be used in binding and functional assays for PAD4 inhibitors.
| Sonrisas canónicas | CCN1C2=CC=CC=C2C=C1C3=NC4=C(N3C)C=C(C=C4)C(=O)N5CCCC(C5)N.Cl |
|---|---|
| IUPAC Name | (3-aminopiperidin-1-yl)-[2-(1-ethylindol-2-yl)-3-methylbenzimidazol-5-yl]methanone;hydrochloride |
| InChIKey | VRPFLFUQMWOJAT-UHFFFAOYSA-N |
| INCHI | 1S/C24H27N5O.ClH/c1-3-29-20-9-5-4-7-16(20)13-22(29)23-26-19-11-10-17(14-21(19)27(23)2)24(30)28-12-6-8-18(25)15-28;/h4-5,7,9-11,13-14,18H,3,6,8,12,15,25H2,1-2H3;1H |
| Isómeros SMILES | CCN1C2=CC=CC=C2C=C1C3=NC4=C(N3C)C=C(C=C4)C(=O)N5CCCC(C5)N.Cl |
| PubChem CID | 86340171 |
| Peso molecular | 437.97 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Piperidines |
| Subclass | N-acylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-benzoylpiperidines |
| Alternative Parents | N-alkylindoles Benzimidazoles Indoles Aminopiperidines N-substituted imidazoles Benzenoids Substituted pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-benzoylpiperidine - N-alkylindole - Indole or derivatives - Benzimidazole - Indole - 3-aminopiperidine - N-substituted imidazole - Substituted pyrrole - Benzenoid - Tertiary carboxylic acid amide - Azole - Pyrrole - Imidazole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Amine - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom. |
| External Descriptors | Not available |
| Peso molecular | 438.000 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 437.198 Da |
| Monoisotopic Mass | 437.198 Da |
| Topological Polar Surface Area | 69.100 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 629.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
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