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Chemical structure of PD 118057

GC10182

PD 118057

Also known as 2-[4-[2-(3,4-dichlorophenyl)ethyl]anilino]benzoic acid

hERG KV11·1 potassium channel activator

ChemicalCAS313674-97-4MW386.27FormulaC21H17Cl2NO2
CAS number
313674-97-4
Molecular weight
386.27
Formula
C21H17Cl2NO2
Solubility
<38·63mg/ml in DMSO; <7·73mg/ml in ethanol
InChIKey
ZCQOSCDABPVAFB-UHFFFAOYSA-N
Catalogue number
GC10182
Brand
GLPBIO
Computed properties PubChem CID 9864959 · XLogP 7.8 · TPSA 49.3 Ų · H-bond donors 2
XLogP
7.8
TPSA
49.3 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
26

SMILES C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)CCC3=CC(=C(C=C3)Cl)Cl

Computed descriptors from PubChem (CID 9864959), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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