Analyte Name

(+)-JQ1 Carboxylic Acid

CAS Number

202592-23-2

Molecular Formula

C19 H17 Cl N4 O2 S

Molecular Weight

400.882

Accurate Mass

400.076

SMILES

Cc1sc2c(C(=N[C@@H](CC(=O)O)c3nnc(C)n23)c4ccc(Cl)cc4)c1C

InChI

InChI=1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1

IUPAC

2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat