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ICA-110381

CAT: 0957-S0075-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S0075-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
325457-99-6
Target
Potassium Channel
Applications
Transmembrane Transporters
Smiles
C1=CC (=CC=C1C (=O) NC2=CN=C (C=C2) Cl) Cl
Molecular Formula
C12H8Cl2N2O
Additionnal Information
ICA 110381 (Compound 16) is a KCNQ2/Q3 potassium channel opener for the treatment of epilepsy. ICA 110381 exhibits KCNQ2/Q3 agonist activity with EC50 of 0.38 μM and KCNQ1 antagonist activity with IC50 of 15 μM, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

4-chloro-N-(6-chloropyridin-3-yl)benzamide
CAS Number325457-99-6
PubChem CID4314115
IUPAC Name4-chloro-N-(6-chloro-3-pyridinyl)benzamide
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.11
XLogP3.3
Topological Polar Surface Area42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity267
SMILES
C1=CC(=CC=C1C(=O)NC2=CN=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2N2O/c13-9-3-1-8(2-4-9)12(17)16-10-5-6-11(14)15-7-10/h1-7H,(H,16,17)
InChIKey
FOYOGIUAMYSVIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-chloro-N-(6-chloropyridin-3-yl)benzamide
CAS: 325457-99-6
CID: 4314115
Formula: C12H8Cl2N2O
MW: 267.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.11
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass266.0013683
Monoisotopic Mass266.0013683
Topological Polar Surface Area42 Ų
Heavy Atom Count17
Formal Charge0
Complexity267
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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HY-108587-01ICA 110381
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A15503-50ICA-110381 50mg
A15503-10ICA-110381 10mg
A15503-10mM-DICA-110381 10mM * 1mL in DMSO
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