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Chemical structure of (S)-JQ-35 (TEN-010)

GC33198

(S)-JQ-35 (TEN-010)

Also known as 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]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

(S)-JQ-35 (TEN-010) (TEN-010) is an inhibitor of the Bromodomain and Extra-Terminal (BET) family bromodomain-containing proteins with potential antineoplastic activity

ChemicalCAS1349719-98-7MW540.12FormulaC27H34ClN7OS
CAS number
1349719-98-7
Molecular weight
540.12
Formula
C27H34ClN7OS
Solubility
DMSO ： ≥ 85 mg/mL (157·37 mM)
InChIKey
PKQXLRYFPSZKDU-QFIPXVFZSA-N
Catalogue number
GC33198
Brand
GLPBIO
Computed properties PubChem CID 54670351 · XLogP 3.5 · TPSA 107 Ų · H-bond donors 1
XLogP
3.5
TPSA
107 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
37

SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCN4CCN(CC4)C)C5=CC=C(C=C5)Cl)C

Computed descriptors from PubChem (CID 54670351), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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