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Ani9

CAT: 0931-T26630-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26630-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
356102-14-2
Target
Chloride channel
Related Pathways
Membrane transporter/Ion channel
Purity
0.9973
Bioactivity
Ani9 is a high selective blocker of Anoctamin1 (ANO1) /transmembrane protein 16A (TMEM16A) with an IC50 of 77 nM and can be used in studies about ANO1 and the treatment of ancer, hypertension, pain, diarrhea and asthma.
Smiles
COc1ccccc1\C=N\NC(=O)COc1ccc(Cl)cc1C
Molecular Formula
C17H17ClN2O3
Molecular Weight
332.78
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(4-Chloro-2-methylphenoxy)-N'-(2-methoxybenzylidene)acetohydrazide
CAS Number356102-14-2
PubChem CID9556542
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
Molecular FormulaC17H17ClN2O3
Molecular Weight332.8
XLogP3.8
Topological Polar Surface Area59.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity405
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)N/N=C/C2=CC=CC=C2OC
InChI
InChI=1S/C17H17ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+
InChIKey
KDALDZRKOBJXIE-VXLYETTFSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Chloro-2-methylphenoxy)-N'-(2-methoxybenzylidene)acetohydrazide
CAS: 356102-14-2
CID: 9556542
Formula: C17H17ClN2O3
MW: 332.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.8
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass332.0927701
Monoisotopic Mass332.0927701
Topological Polar Surface Area59.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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