| CAS Number | 1923851-49-3 |
| Catalog Number | AG01ENWS(AGN-PC-0WOH45) |
| Chemical Name | GSK9311 |
| IUPAC Name | N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxobenzimidazol-5-yl]-N-ethyl-2-methoxybenzamide |
| InChI | InChI=1S/C24H31N5O3/c1-6-28(23(30)17-9-7-8-10-22(17)32-5)20-13-18-19(27(4)24(31)26(18)3)14-21(20)29-12-11-25-15-16(29)2/h7-10,13-14,16,25H,6,11-12,15H2,1-5H3/t16-/m1/s1 |
| InChI Key | WFXIHQFRQPGCCR-MRXNPFEDSA-N |
| MDL Number | MFCD31382186 |
| Molecular Formula | C24H31N5O3 |
| Molecular Weight | 437.5346 |
| SMILES | N1CCN(C2=C(N(CC)C(=O)C3=CC=CC=C3OC)C=C3C(=C2)N(C)C(=O)N3C)[C@H](C)C1 |
| Synonyms | GSK9311,
CHEMBL3827932,
1923851-49-3,
N-[1,3-Dimethyl-6-[(2r)-2-Methylpiperazin-1-Yl]-2-Oxidanylidene-Benzimidazol-5-Yl]-N-Ethyl-2-Methoxy-Benzamide,
BCP24866,
EX-A1172,
BDBM50189407,
AKOS032960381,
CS-6907,
GSK9311, >=98% (HPLC),
HY-100729,
8VI,
|
| Complexity | 691 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 437.243g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 437.544g/mol |
| Monoisotopic Mass | 437.243g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number