| CAS Number | 1881233-39-1 |
| Catalog Number | AG00ABT2(AGN-PC-0WNHCN) |
| Chemical Name | PI4KIII beta inhibitor 1 |
| IUPAC Name | N-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide |
| InChI | InChI=1S/C22H25N3O5S2/c1-13-19(31-21(23-13)24-20(27)22(2,3)4)14-6-11-17(30-5)18(12-14)32(28,29)25-15-7-9-16(26)10-8-15/h6-12,25-26H,1-5H3,(H,23,24,27) |
| InChI Key | PLUYFBRIGUAKBR-UHFFFAOYSA-N |
| MDL Number | MFCD30187514 |
| Molecular Formula | C22H25N3O5S2 |
| Molecular Weight | 475.5810 |
| SMILES | OC1=CC=C(C=C1)NS(=O)(=O)C=1C=C(C=CC1OC)C1=C(N=C(S1)NC(C(C)(C)C)=O)C |
| Synonyms | PI4KIIIbeta-IN-10,
1881233-39-1,
CHEMBL3786230,
PI4KIII beta inhibitor 1,
SCHEMBL14851574,
BDBM50160075,
AKOS030526681,
ZINC143135373,
CS-5601,
HY-100198,
A16269,
|
| Complexity | 744 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 475.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 475.578g/mol |
| Monoisotopic Mass | 475.124g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 154A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number