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Chemical structure of CeMMEC1

GC19098

CeMMEC1

Also known as N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxoisoquinoline-4-carboxamide

CeMMEC1 is an inhibitor of BRD4, and also has high affinity for TAF1, with an IC50 of 0·9 uM for TAF1, and a Kd of 1·8 uM for TAF1 (2)

ChemicalCAS440662-09-9MW336.34FormulaC19H16N2O4
CAS number
440662-09-9
Molecular weight
336.34
Formula
C19H16N2O4
Solubility
DMSO ： 100 mg/mL (297·32 mM)
InChIKey
PEOQAZBGLOADFJ-UHFFFAOYSA-N
Catalogue number
GC19098
Brand
GLPBIO
Computed properties PubChem CID 24152379 · XLogP 1.8 · TPSA 67.9 Ų · H-bond donors 1
XLogP
1.8
TPSA
67.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25

SMILES CN1C=C(C2=CC=CC=C2C1=O)C(=O)NC3=CC4=C(C=C3)OCCO4

Computed descriptors from PubChem (CID 24152379), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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