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AK-42

CAT: 0013-GTR19210124-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210124-02Size:50 mg
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Description
AK-42 is a novel, highly potent and selective inhibitor of the CLC-2 chloride channel. It demonstrates exceptional specificity versus the homologous CLC-1 channel and shows no significant activity across a broad panel of 61 neurological targets. This selectivity profile makes it a valuable tool for investigating CLC-2 function in both in vitro and in vivo models of neuronal excitability and fluid secretion.
CAS Number
15437-29-3
Smiles
N (C1=C (C (O) =O) C=CC=C1) C2=C (Cl) C (OCC3=CC=CC=C3) =CC=C2Cl
Molecular Formula
C20H15Cl2NO3
Molecular Weight
388.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-((3-(Benzyloxy)-2,6-dichlorophenyl)amino)benzoic acid
CAS Number15437-29-3
PubChem CID154156695
IUPAC Name2-(2,6-dichloro-3-phenylmethoxyanilino)benzoic acid
Molecular FormulaC20H15Cl2NO3
Molecular Weight388.2
XLogP6.3
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity458
SMILES
C1=CC=C(C=C1)COC2=C(C(=C(C=C2)Cl)NC3=CC=CC=C3C(=O)O)Cl
InChI
InChI=1S/C20H15Cl2NO3/c21-15-10-11-17(26-12-13-6-2-1-3-7-13)18(22)19(15)23-16-9-5-4-8-14(16)20(24)25/h1-11,23H,12H2,(H,24,25)
InChIKey
OZERPKICLJNSGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((3-(Benzyloxy)-2,6-dichlorophenyl)amino)benzoic acid
CAS: 15437-29-3
CID: 154156695
Formula: C20H15Cl2NO3
MW: 388.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.2
XLogP36.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass387.0428987
Monoisotopic Mass387.0428987
Topological Polar Surface Area58.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity458
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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