| CAS Number | 1628428-01-2 |
| Catalog Number | AG00ABPR |
| Chemical Name | PKR-IN-2 |
| IUPAC Name | N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide |
| InChI | InChI=1S/C24H28N4O4S/c1-17(2)16-24(30)10-14-28(15-11-24)23(29)18-6-8-19(9-7-18)27-33(31,32)21-5-3-4-20-22(21)26-13-12-25-20/h3-9,12-13,17,27,30H,10-11,14-16H2,1-2H3 |
| InChI Key | JTGUGSWLWPKCGF-UHFFFAOYSA-N |
| MDL Number | MFCD29472293 |
| Molecular Formula | C24H28N4O4S |
| Molecular Weight | 468.5685 |
| SMILES | O=S(C1=C2N=CC=NC2=CC=C1)(NC3=CC=C(C(N4CCC(CC(C)C)(O)CC4)=O)C=C3)=O |
| UNII | WLI3QP8XYK |
| Synonyms | PKR-IN-2,
UNII-WLI3QP8XYK,
WLI3QP8XYK,
1628428-01-2,
CHEMBL3731897,
SCHEMBL16049613,
ZINC220483101,
CS-5353,
HY-19702,
N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide,
5-Quinoxalinesulfonamide, N-(4-((4-hydroxy-4-(2-methylpropyl)-1-piperidinyl)carbonyl)phenyl)-,
N-(4-((4-Hydroxy-4-(2-methylpropyl)-1-piperidinyl)carbonyl)phenyl)-5-quinoxalinesulfonamide,
|
| Complexity | 768 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 468.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 468.572g/mol |
| Monoisotopic Mass | 468.183g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number