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CeMMEC1

CAT: 0013-GTR19162200-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162200-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CeMMEC1 is a potent, selective second bromodomain of TAF1 inhibitor with Kd of 1.8 uM; shows high selectivity for the TAF1 (2) bromodomain over BRD4 (1), BRD9, CREBBP, EP300 and TAF1 (2) bromodomains (IC50>10 uM; impaires cell viability in TAF1 downregulated cells; synergizes with (+) -JQ1 to inhibit the proliferation of THP-1 and H23 lung adenocarcinoma cells.
CAS Number
440662-09-9
Product Name Alternative
CeMMEC 1
Purity
>98% (HPLC)
Solubility
DMSO: 21 mg/mL (62.4 mM) (< 1 mg/ml refers to the product slightly soluble or insoluble)
Smiles
CN1C=C (C2=CC=CC=C2C1=O) C (=O) NC3=CC4=C (C=C3) OCCO4
Molecular Formula
C19H16N2O4
Molecular Weight
336.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
N- (2,3-dihydro-1,4-benzodioxin-6-yl) -1,2-dihydro-2-methyl-1-oxo-4-isoquinolinecarboxamide

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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