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AF-2785

CAT: 0013-GTR19200578-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200578-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AF-2785 is a small molecule inhibitor of the cystic fibrosis transmembrane conductance regulator (CFTR) chloride channel, specifically characterized in epididymal epithelial cells. This compound is a valuable research tool for studying CFTR function and male reproductive physiology in both in vitro and ex vivo experimental models.
CAS Number
252025-48-2
Field of Research
Pharmacology & Drug Discovery
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
Storage Conditions
-20°C
Notes
For research use only.

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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