Products for Research Use Only

CeMMEC1

CAT: 0013-GTR19170299-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19170299-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
CeMMEC1 is a dual-targeting small molecule inhibitor, potently inhibiting BRD4 and binding TAF1 with high affinity (IC50=0.9 μM) . It serves as a valuable chemical probe for epigenetic and transcriptional research in oncology, enabling mechanistic studies in both cellular and biochemical assays.
CAS Number
440662-09-9
Product Name Alternative
TAF1, RNASynthesis, RNA Synthesis, Epigenetic Reader Domain, EpigeneticReaderDomain, CeMMEC1, CeMMEC 1, CeMMEC-1, BRD4, DNASynthesis, DNA/RNA Synthesis, DNA Synthesis
Field of Research
Cell Biology, Epigenetics & Chromatin, Molecular Biology, Protein Biochemistry
Purity
98.39% (May vary between batches)
Solubility
DMSO:5.63 mg/mL (16.74 mM)
Smiles
Cn1cc (C (=O) Nc2ccc3OCCOc3c2) c2ccccc2c1=O
Molecular Formula
C19H16N2O4
Molecular Weight
336.34
Storage Conditions
-20°C
Notes
For research use only.

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...
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