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CeMMEC1

CAT: 1410-M14499-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M14499-01Size:1 Each
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Description
CeMMEC1 is a potent, selective second bromodomain of TAF1 inhibitor with Kd of 1.8 uM.
CAS Number
440662-09-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
336.3
Molecular Formula
C19H16N2O4
Notes
Research use only, not for human use.
Receptor
BRD4|TAF1

Chemical Information

CeMMEC1
CAS Number440662-09-9
PubChem CID24152379
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxoisoquinoline-4-carboxamide
Molecular FormulaC19H16N2O4
Molecular Weight336.3
XLogP1.8
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity576
SMILES
CN1C=C(C2=CC=CC=C2C1=O)C(=O)NC3=CC4=C(C=C3)OCCO4
InChI
InChI=1S/C19H16N2O4/c1-21-11-15(13-4-2-3-5-14(13)19(21)23)18(22)20-12-6-7-16-17(10-12)25-9-8-24-16/h2-7,10-11H,8-9H2,1H3,(H,20,22)
InChIKey
PEOQAZBGLOADFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CeMMEC1
CAS: 440662-09-9
CID: 24152379
Formula: C19H16N2O4
MW: 336.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.3
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass336.11100700
Monoisotopic Mass336.11100700
Topological Polar Surface Area67.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity576
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A19900-100CeMMEC1 100mg
A19900-10CeMMEC1 10mg

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