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Rhodblock 3

CAT: 0931-T26077-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26077-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
879564-86-0
Target
Others
Related Pathways
Others
Bioactivity
Rhodblock 3 is a potent small molecule Rho pathway inhibitor.
Smiles
CC1=C(Cl)C=C2C(CC(N)=O)=COC2=C1
Molecular Formula
C11H10ClNO2
Molecular Weight
223.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rhodblock 3
CAS Number879564-86-0
PubChem CID2987297
IUPAC Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
Molecular FormulaC11H10ClNO2
Molecular Weight223.65
XLogP2.1
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity259
SMILES
CC1=CC2=C(C=C1Cl)C(=CO2)CC(=O)N
InChI
InChI=1S/C11H10ClNO2/c1-6-2-10-8(4-9(6)12)7(5-15-10)3-11(13)14/h2,4-5H,3H2,1H3,(H2,13,14)
InChIKey
DJJRJQKRSSUZIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rhodblock 3
CAS: 879564-86-0
CID: 2987297
Formula: C11H10ClNO2
MW: 223.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.65
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass223.0400063
Monoisotopic Mass223.0400063
Topological Polar Surface Area56.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity259
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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