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Chemical structure of ABBV-744

GC19409

ABBV-744

Also known as N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

ABBV-744 is a BDII-selective BET bromodomain inhibitor

ChemicalCAS2138861-99-9MW491.5634FormulaC28H30FN3O4
CAS number
2138861-99-9
Molecular weight
491.5634
Formula
C28H30FN3O4
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,DMSO：PBS (pH 7·2) (1：3)： 0·25 mg/ml
InChIKey
OEDSFMUSNZDJFD-UHFFFAOYSA-N
Catalogue number
GC19409
Brand
GLPBIO
Computed properties PubChem CID 132010322 · XLogP 3.9 · TPSA 94.7 Ų · H-bond donors 3
XLogP
3.9
TPSA
94.7 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
36

SMILES CCNC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4=C(C=C(C=C4C)F)C)C

Computed descriptors from PubChem (CID 132010322), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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