| CAS Number | 1240516-71-5 |
| Catalog Number | AG01EOL0(AGN-PC-0WNOE0) |
| Chemical Name | N-[[3-[[3-[[(5-chloro-2-thienyl)sulfonyl]amino]-4-methoxy-1H-indazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide |
| IUPAC Name | N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide |
| InChI | InChI=1S/C24H25ClN4O5S2/c1-24(2,31)23(30)26-13-15-6-4-7-16(12-15)14-29-17-8-5-9-18(34-3)21(17)22(27-29)28-36(32,33)20-11-10-19(25)35-20/h4-12,31H,13-14H2,1-3H3,(H,26,30)(H,27,28) |
| InChI Key | YTEVTHHGQMUPHC-UHFFFAOYSA-N |
| MDL Number | MFCD30533311 |
| Molecular Formula | C24H25ClN4O5S2 |
| Molecular Weight | 549.0621 |
| SMILES | CC(C)(O)C(NCC1=CC=CC(CN2N=C(NS(=O)(C3=CC=C(Cl)S3)=O)C4=C2C=CC=C4OC)=C1)=O |
| UNII | 07ODS257BP |
| Synonyms | GSK2239633A,
N-((3-((3-(((5-chloro-2-thienyl)sulfonyl)amino)-4-(methyloxy)-1H-indazol-1-yl)methyl)phenyl)methyl)-2-hydroxy-2-methylpropanamide,
GSK2239633A,
UNII-07ODS257BP,
07ODS257BP,
CHEMBL2018969,
1240516-71-5,
SCHEMBL358731,
YTEVTHHGQMUPHC-UHFFFAOYSA-N,
BDBM50380880,
GSK 2239633A,
GSK-2239633A,
GSK-2239633,
HY-100183,
CS-0018178,
N-((3-((3-((5-Chloro-2-thienyl)sulfonylamino)-4-methoxy-indazol-1-yl)methyl)phenyl)methyl)-2-hydroxy-2-methyl-propanamide,
N-(3-((3-(5-chlorothiophene-2-sulfonamido)-4-methoxy-1h-indazol-1-yl)methyl)benzyl)-2-hydroxy-2-methylpropanamide,
N-[(3-{[3-{[(5-Chloro-2-thienyl)sulfonyl]amino}-4-(methyloxy)-1H-indazol-1-yl]methyl}phenyl)methyl]-2-hydroxy-2-methylpropanamide,
Propanamide, N-((3-((3-(((5-chloro-2-thienyl)sulfonyl)amino)-4-methoxy-1H-indazol-1-yl)methyl)phenyl)methyl)-2-hydroxy-2-methyl-,
|
| Complexity | 873 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 548.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 549.057g/mol |
| Monoisotopic Mass | 548.095g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 159A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number