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Adjudin

CAT: 1568-C07190-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C07190-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
252025-52-8
Synonyms
AF-2364
SKU
C07190-5mg
Target
Chloride Channel
Applications
Transmembrane Transporters
Smiles
C1=CC=C2C (=C1) C (=NN2CC3=C (C=C (C=C3) Cl) Cl) C (=O) NN
Molecular Formula
C15H12Cl2N4O
Additionnal Information
Adjudin (AF-2364), a potent male contraceptive, is a potent blocker of Cl− channels. Adjudin exhibits anti-inflammatory properties by suppression of NF-κB p65 nuclear translocation and DNA binding activity as well as ERK MAPK phosphorylation.
Storage Conditions
3 years -20°C powder

Chemical Information

Adjudin
CAS Number252025-52-8
PubChem CID9819086
IUPAC Name1-[(2,4-dichlorophenyl)methyl]indazole-3-carbohydrazide
Molecular FormulaC15H12Cl2N4O
Molecular Weight335.2
XLogP3.3
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity411
SMILES
C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)NN
InChI
InChI=1S/C15H12Cl2N4O/c16-10-6-5-9(12(17)7-10)8-21-13-4-2-1-3-11(13)14(20-21)15(22)19-18/h1-7H,8,18H2,(H,19,22)
InChIKey
VENCPJAAXKBIJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adjudin
CAS: 252025-52-8
CID: 9819086
Formula: C15H12Cl2N4O
MW: 335.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight335.2
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass334.0388164
Monoisotopic Mass334.0388164
Topological Polar Surface Area72.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity411
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