Chemical Compound

JQ1 compound

CAS Registry Number1268524-70-4
JQ1 compound chemical structure
Primary record

JQ1 compound

CAS
1268524-70-4
PubChem CID
46907787
SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C
Molecular Formula
C23H25ClN4O2S
Molecular Weight
456.999
Exact Mass
456.1387
InChI
InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
InChIKey
DNVXATUJJDPFDM-KRWDZBQOSA-N
LogP
5.5314
TPSA
69.37

Names and synonyms

  • 1268524-70-4
  • JQ1 compound
  • (+)-JQ1
  • (+)-JQ-1
  • 3mxf
  • 4flp
  • 4qzs
  • BETi
  • JQ1 & Mukungulu
  • BET inhibitor JQ1
  • 1MRH0IMX0W
  • JQ-1
  • (+)-JQ1 compound
  • UNII-1MRH0IMX0W
  • (S)-JQ1
  • MFCD22683748
  • RefChem:923976
  • C23H25ClN4O2S
  • D0ZW4W
  • Bromodomain Inhibitor, (+)-JQ1
  • CHEMBL1957266
  • MLS006011158
  • SCHEMBL881227
  • DTXSID20155309
  • GTPL7511
  • JQ 1
  • JQ1
  • orb1306457
  • DTXCID5077800
  • (+)-SGCBD01