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Chemical structure of WNK-IN-11 D3

GC62662

WNK-IN-11 D3

Also known as [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[5-chloro-2-[2-(trideuteriomethylamino)-1,3-thiazol-4-yl]-4-pyridinyl]methanone

WNK-IN-11 D3 is an orally active, selective and potent With-No-Lysine (WNK) kinase inhibitor

ChemicalCAS2123483-49-6MW465.41FormulaC21H18D3Cl2N5OS
CAS number
2123483-49-6
Molecular weight
465.41
Formula
C21H18D3Cl2N5OS
Solubility
DMSO : ≥ 100 mg/mL (214·86 mM); DMSO : ≥ 100 mg/mL (214·86 mM)
InChIKey
MVXAYIXYYOVALX-FIBGUPNXSA-N
Catalogue number
GC62662
Brand
GLPBIO
Computed properties PubChem CID 137660903 · XLogP 3.9 · TPSA 89.6 Ų · H-bond donors 1
XLogP
3.9
TPSA
89.6 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30

SMILES [2H]C([2H])([2H])NC1=NC(=CS1)C2=NC=C(C(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl)Cl

Computed descriptors from PubChem (CID 137660903), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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