| CAS Number | 1621175-65-2 |
| Catalog Number | AG00ASEE(AGN-PC-0WOB6P) |
| Chemical Name | GPR39-C3 |
| IUPAC Name | N-[3-chloro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide |
| InChI | InChI=1S/C18H19ClN6O2S/c1-20-18-23-16(15-5-3-4-8-21-15)10-17(24-18)22-11-12-6-7-13(9-14(12)19)25-28(2,26)27/h3-10,25H,11H2,1-2H3,(H2,20,22,23,24) |
| InChI Key | DRSZMILOMUPIBJ-UHFFFAOYSA-N |
| MDL Number | MFCD30182283 |
| Molecular Formula | C18H19ClN6O2S |
| Molecular Weight | 418.9005 |
| SMILES | CS(=O)(NC1=CC=C(CNC2=NC(NC)=NC(C3=NC=CC=C3)=C2)C(Cl)=C1)=O |
| Synonyms | GPR39-C3,
N-(3-chloro-4-(((2-(methylamino)-6-(2-pyridinyl)-4-pyrimidinyl)amino)methyl)phenyl)methanesulfonamide,
TC-G 1008,
GPR39-C3,
TC-G-1008,
1621175-65-2,
CHEMBL3342358,
TC-G 1008,
N-[3-Chloro-4-[[[2-(methylamino)-6-(2-pyridinyl)-4-pyrimidinyl]amino]methyl]phenyl]methanesulfonamide,
BCP18836,
EX-A1975,
BDBM50030788,
AKOS025147352,
ZINC252482983,
CS-7518,
NCGC00384191-01,
HY-103007,
A16364,
|
| Complexity | 589 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 418.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 418.9g/mol |
| Monoisotopic Mass | 418.098g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number