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CeMMEC2

CAT: 1410-M16491-01Size: 1 EachDry Ice: NoHazardous: No
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Description
CeMMEC2 is a novel potent BRD4 inhibitor with IC50 of 0.9 uM.
CAS Number
902955-25-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
257.34
Molecular Formula
C14H19N5
Notes
Research use only, not for human use.
Receptor
Bromodomain

Chemical Information

CeMMEC2
CAS Number902955-25-3
PubChem CID6623003
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Molecular FormulaC14H19N5
Molecular Weight257.33
XLogP2.5
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity330
SMILES
CC1=NN=C2N1N=C(C=C2)NCCC3=CCCCC3
InChI
InChI=1S/C14H19N5/c1-11-16-17-14-8-7-13(18-19(11)14)15-10-9-12-5-3-2-4-6-12/h5,7-8H,2-4,6,9-10H2,1H3,(H,15,18)
InChIKey
NCACTGQDGOLTBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CeMMEC2
CAS: 902955-25-3
CID: 6623003
Formula: C14H19N5
MW: 257.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.33
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass257.16404563
Monoisotopic Mass257.16404563
Topological Polar Surface Area55.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity330
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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Alternative Products

CatalogName
GTR19197931-01CeMMEC2

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