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Chemical structure of BET-IN-14

GC73423

BET-IN-14

Also known as (3R)-4-cyclopentyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one

BET-IN-14 is an orally active pan BET inhibitor (IC50: 5·35 nM)

ChemicalCAS2243669-93-2MW527.66FormulaC30H37N7O2
CAS number
2243669-93-2
Molecular weight
527.66
Formula
C30H37N7O2
Solubility
DMSO ： 100 mg/mL (189·52 mM; Need ultrasonic)
InChIKey
RRASMEQGOOPKTF-OAQYLSRUSA-N
Catalogue number
GC73423
Brand
GLPBIO
Computed properties PubChem CID 146322290 · XLogP 4.3 · TPSA 77.8 Ų · H-bond donors 0
XLogP
4.3
TPSA
77.8 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
39

SMILES C[C@@H]1C(=O)N(C2=C(N1C3CCCC3)C=C(C=C2)C4=NC(=NN4C5=CC=C(C=C5)C)C(=O)N6CCN(CC6)C)C

Computed descriptors from PubChem (CID 146322290), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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