| CAS Number | 443913-15-3 |
| Catalog Number | AG01EOJA(AGN-PC-0WOIHD) |
| Chemical Name | p38-α MAPK-IN-1 |
| IUPAC Name | 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea |
| InChI | InChI=1S/C27H35N5O3/c1-20-5-9-22(10-6-20)32-25(19-24(30-32)27(2,3)4)29-26(33)28-21-7-11-23(12-8-21)35-18-15-31-13-16-34-17-14-31/h5-12,19H,13-18H2,1-4H3,(H2,28,29,33) |
| InChI Key | FRZNJFWQVYAVCE-UHFFFAOYSA-N |
| MDL Number | MFCD30533549 |
| Molecular Formula | C27H35N5O3 |
| Molecular Weight | 477.5985 |
| SMILES | C(C)(C)(C)C1=NN(C(=C1)NC(=O)NC1=CC=C(C=C1)OCCN1CCOCC1)C1=CC=C(C=C1)C |
| Synonyms | p38-|A MAPK-IN-1,
p38-alpha MAPK-IN-1,
CHEMBL101035,
443913-15-3,
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)phenyl)urea,
1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea,
BIRB-796 derivative, 14,
SCHEMBL12245427,
BDBM50115209,
CS-7765,
HY-18874,
1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)-phenyl]-urea,
1-[1-(4-Methylphenyl)-3-tert-butyl-1H-pyrazole-5-yl]-3-[4-(2-morpholinoethoxy)phenyl]urea,
R39,
p38-(alpha) MAPK-IN-1,
CID10972838,
1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea,
|
| Complexity | 650 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 477.274g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 477.609g/mol |
| Monoisotopic Mass | 477.274g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number