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AF-2785

CAT: 0931-T23648-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23648-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
252025-48-2
Target
Others, CFTR
Related Pathways
Membrane transporter/Ion channel, Others
Bioactivity
In epididymal epithelial cells, AF-2785 inhibits cystic fibrosis transmembrane conductance regulator Cl (-) channels.
Smiles
C(N1C=2C(C(C=CC(O)=O)=N1)=CC=CC2)C3=C(Cl)C=C(Cl)C=C3
Molecular Formula
C17H12Cl2N2O2
Molecular Weight
347.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AF-2785
CAS Number252025-48-2
PubChem CID9841194
IUPAC Name(E)-3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoic acid
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.2
XLogP4.4
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity460
SMILES
C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)/C=C/C(=O)O
InChI
InChI=1S/C17H12Cl2N2O2/c18-12-6-5-11(14(19)9-12)10-21-16-4-2-1-3-13(16)15(20-21)7-8-17(22)23/h1-9H,10H2,(H,22,23)/b8-7+
InChIKey
JXBHFVLHFJMKPK-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of AF-2785
CAS: 252025-48-2
CID: 9841194
Formula: C17H12Cl2N2O2
MW: 347.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.2
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass346.0275830
Monoisotopic Mass346.0275830
Topological Polar Surface Area55.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity460
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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