| CAS Number | 1110502-30-1 |
| Catalog Number | AG0097FL(AGN-PC-04URCA) |
| Chemical Name | JAK2 Inhibitor IV |
| IUPAC Name | 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide |
| InChI | InChI=1S/C17H20N4O2S/c1-17(2,3)21-24(22,23)13-7-4-11(5-8-13)12-6-9-15-14(10-12)16(18)20-19-15/h4-10,21H,1-3H3,(H3,18,19,20) |
| InChI Key | KFJCXIOVAGJCKB-UHFFFAOYSA-N |
| Molecular Formula | C17H20N4O2S |
| Molecular Weight | 344.4313 |
| SMILES | Nc1n[nH]c2c1cc(cc2)c1ccc(cc1)S(=O)(=O)NC(C)(C)C |
| Synonyms | 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide,
JAK2 Inhibitor IV,
CHEMBL480411,
1110502-30-1,
Sulfonamide 13,
JAK2 inhibitor 13,
CTK8G0411,
3e64,
BDBM50254911,
ZINC39187976,
DB07162,
NCGC00386647-01,
ZINC000039187976,
J-002511,
Q27096077,
4-(3-amino-2h-indazol-5-yl)-n-tert-butylbenzene-1-sulfonamide,
5B3,
JAK2 inhibitor 13 - Sulfonamide 13,
|
| Complexity | 532 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.130697g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.4g/mol |
| Monoisotopic Mass | 344.130697g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 109Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number