| CAS Number | 1873376-49-8 |
| Catalog Number | AG01EOKT(AGN-PC-3H46F2) |
| Chemical Name | CXCR2-IN-1 |
| IUPAC Name | 1-(2-chloro-3-fluorophenyl)-3-[4-chloro-2-hydroxy-3-(1-methylpiperidin-4-yl)sulfonylphenyl]urea |
| InChI | InChI=1S/C19H20Cl2FN3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-12(20)5-6-15(17(18)26)24-19(27)23-14-4-2-3-13(22)16(14)21/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27) |
| InChI Key | BJYOBCUGMDKPBM-UHFFFAOYSA-N |
| MDL Number | MFCD31382127 |
| Molecular Formula | C19H20Cl2FN3O4S |
| Molecular Weight | 476.3492 |
| SMILES | C1(Cl)C(S(C2CCN(C)CC2)(=O)=O)=C(O)C(NC(=O)NC2C(Cl)=C(F)C=CC=2)=CC=1 |
| Synonyms | CXCR2-IN-1,
1873376-49-8,
CHEMBL3819512,
BDBM50182251,
ZINC653863935,
CS-6467,
HY-101022,
|
| Complexity | 702 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 475.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 476.344g/mol |
| Monoisotopic Mass | 475.054g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number