| CAS Number | 1128096-91-2 |
| Catalog Number | AG008TN6 |
| Chemical Name | Sr-3306 |
| IUPAC Name | N-[4-[3-(6-methylpyridin-3-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine |
| InChI | InChI=1S/C28H26N8O/c1-20-5-6-22(18-30-20)27-31-19-36(34-27)24-9-7-23(8-10-24)32-28-29-12-11-26(33-28)21-3-2-4-25(17-21)35-13-15-37-16-14-35/h2-12,17-19H,13-16H2,1H3,(H,29,32,33) |
| InChI Key | QDMXVKKPYBGIAS-UHFFFAOYSA-N |
| MDL Number | MFCD28138098 |
| Molecular Formula | C28H26N8O |
| Molecular Weight | 490.559 |
| SMILES | C1C=C(N2N=C(C3C=CC(C)=NC=3)N=C2)C=CC=1NC1=NC=CC(C2C=C(N3CCOCC3)C=CC=2)=N1 |
| Synonyms | SR-3306,
1128096-91-2,
CHEMBL2144409,
MLS006012045,
SCHEMBL3750574,
BDBM50059654,
ZINC72317307,
AKOS030257526,
SB17012,
NCGC00263146-01,
HY-12829,
SMR004703567,
CS-4213,
|
| Complexity | 700 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 490.223g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 490.571g/mol |
| Monoisotopic Mass | 490.223g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 93.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number