| CAS Number | 871340-88-4 |
| Catalog Number | AG01EQF3(AGN-PC-0VB1RY) |
| Chemical Name | DG2-S6K1InhibitorDG2 |
| IUPAC Name | 3-bromo-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine |
| InChI | InChI=1S/C16H17BrN6O/c1-24-12-5-3-2-4-11(12)22-6-8-23(9-7-22)16-13-14(17)20-21-15(13)18-10-19-16/h2-5,10H,6-9H2,1H3,(H,18,19,20,21) |
| InChI Key | CQXAPCMYRSTDGK-UHFFFAOYSA-N |
| MDL Number | MFCD22580420 |
| Molecular Formula | C16H17BrN6O |
| Molecular Weight | 389.2498 |
| SMILES | BrC1=NNC2=NC=NC(=C21)N2CCN(CC2)C2=C(C=CC=C2)OC |
| Synonyms | CHEMBL1254209,
3-Bromo-4-(4-(2-methoxyphenyl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine,
S6K1 Inhibitor DG2,
MLS003593144,
SCHEMBL1791253,
BDBM50326705,
ZINC59206027,
NCGC00386658-01,
871340-88-4,
SMR002239252,
DG2 - S6K1 Inhibitor DG2,
DG2,
|
| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.257g/mol |
| Monoisotopic Mass | 388.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number