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MCC1019

CAT: 0931-T69496-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69496-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
29115-34-2
Target
Others
Related Pathways
Others
Bioactivity
MCC1019 is a novel selective inhibitor of the Polo-box domain of Polo-like kinase 1 (PLK1) .
Smiles
C(Br)C=1C=2C(OC1C(OCC)=O)=CC=CC2
Molecular Formula
C12H11BrO3
Molecular Weight
283.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl 3-(bromomethyl)-1-benzofuran-2-carboxylate
CAS Number29115-34-2
PubChem CID2317225
IUPAC Nameethyl 3-(bromomethyl)-1-benzofuran-2-carboxylate
Molecular FormulaC12H11BrO3
Molecular Weight283.12
XLogP3.4
Topological Polar Surface Area39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity257
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2O1)CBr
InChI
InChI=1S/C12H11BrO3/c1-2-15-12(14)11-9(7-13)8-5-3-4-6-10(8)16-11/h3-6H,2,7H2,1H3
InChIKey
AHTASHQCOAXTTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3-(bromomethyl)-1-benzofuran-2-carboxylate
CAS: 29115-34-2
CID: 2317225
Formula: C12H11BrO3
MW: 283.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.12
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass281.98916
Monoisotopic Mass281.98916
Topological Polar Surface Area39.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity257
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

Related Products

CatalogName
T24434-01MCC1189

Alternative Products

CatalogName
MBS5812042MCC1019

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