≥97% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
GSK199 is a selective inhibitor of PAD4 with IC50 of 200 nM in the absence of calcium.
| Sonrisas canónicas | CCN1C(=CC2=C1N=CC=C2)C3=NC4=C(N3C)C(=CC(=C4)C(=O)N5CCCC(C5)N)OC.Cl |
|---|---|
| IUPAC Name | [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride |
| InChIKey | KRGMIOKDGHBYQE-UNTBIKODSA-N |
| INCHI | 1S/C24H28N6O2.ClH/c1-4-30-19(12-15-7-5-9-26-22(15)30)23-27-18-11-16(13-20(32-3)21(18)28(23)2)24(31)29-10-6-8-17(25)14-29;/h5,7,9,11-13,17H,4,6,8,10,14,25H2,1-3H3;1H/t17-;/m1./s1 |
| Isómeros SMILES | CCN1C(=CC2=C1N=CC=C2)C3=NC4=C(N3C)C(=CC(=C4)C(=O)N5CCC[C@H](C5)N)OC.Cl |
| PubChem CID | 86340155 |
| Peso molecular | 468.98 |
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 | Pyrrolopyridines Benzimidazoles Anisoles Alkyl aryl ethers Aminopiperidines Substituted pyrroles Pyridines and derivatives N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Monoalkylamines Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-benzoylpiperidine - Benzimidazole - Pyrrolopyridine - Anisole - Phenol ether - Alkyl aryl ether - 3-aminopiperidine - Benzenoid - Substituted pyrrole - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Pyrrole - Amino acid or derivatives - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Primary amine - Primary aliphatic amine - Hydrochloride - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 G2418347 | Certificate of Analysis | Apr 07, 2024 | G413836 |
| G2418348 | Certificate of Analysis | Apr 07, 2024 | G413836 |
| G2418358 | Certificate of Analysis | Apr 07, 2024 | G413836 |
| G2418359 | Certificate of Analysis | Apr 07, 2024 | G413836 |
| G2418360 | Certificate of Analysis | Apr 07, 2024 | G413836 |
| G2418361 | Certificate of Analysis | Apr 07, 2024 | G413836 |
| G2418362 | Certificate of Analysis | Apr 07, 2024 | G413836 |
| G2418363 | Certificate of Analysis | Apr 07, 2024 | G413836 |
| Peso molecular | 469.000 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 468.204 Da |
| Monoisotopic Mass | 468.204 Da |
| Topological Polar Surface Area | 91.200 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 679.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
