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AK-42

CAT: 0931-T70469-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70469-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15437-29-3
Target
Others
Related Pathways
Others
Bioactivity
AK-42 is a novel potent and specific inhibitor of CLC-2, displaying unprecedented selectivity over CLC-1, the closest CLC-2 homolog, and exhibiting no off-target engagement against a panel of 61 common channels, receptors, and transporters expressed in brain tissue.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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