≥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.
| Canonical Smiles | 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 |
| Isomeric 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 |
| Molecular Weight | 468.98 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 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 |
| Molecular Weight | 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 |
