| CAS Number | 1006378-90-0 |
| Catalog Number | AG008TMU |
| Chemical Name | P38 mapk-in-1 |
| IUPAC Name | 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium |
| InChI | InChI=1S/C21H14F2N2O/c1-13-4-2-3-5-15(13)21-20-18(9-11-25(21)26)16(8-10-24-20)17-7-6-14(22)12-19(17)23/h2-12H,1H3 |
| InChI Key | BSZQSLWNMVTKJT-UHFFFAOYSA-N |
| MDL Number | MFCD28900744 |
| Molecular Formula | C21H14F2N2O |
| Molecular Weight | 348.3455 |
| SMILES | C1C(F)=CC(F)=C(C2C3=CC=[N+](C(C4C=CC=CC=4C)=C3N=CC=2)[O-])C=1 |
| Synonyms | p38 MAPK-IN-1,
1006378-90-0,
CHEMBL1916344,
p38alpha-IN-4,
SCHEMBL2077831,
BCP24818,
BDBM50357886,
ZINC68245463,
AKOS030260401,
HY-12839,
4-(2,4-difluoro-phenyl)-8-o-tolyl-1,7-naphthyridine-7-oxide,
CS-4225,
|
| Complexity | 479 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.353g/mol |
| Monoisotopic Mass | 348.107g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number