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Chemical structure of GNE-140 racemate

GC32694

GNE-140 racemate

Also known as 3-(2-chlorophenyl)sulfanyl-6-(4-morpholin-4-ylphenyl)-6-thiophen-3-ylpiperidine-2,4-dione

GNE-140 racemate is a racemate mixture of (R)-GNE-140 and (S)-GNE-140· GNE-140 racemate is a potent lactate dehydrogenase A (LDHA) inhibitor

ChemicalCAS1802977-61-2MW499.04FormulaC25H23ClN2O3S2
CAS number
1802977-61-2
Molecular weight
499.04
Formula
C25H23ClN2O3S2
Solubility
DMSO : ≥ 34 mg/mL (68·13 mM)
InChIKey
GLDDJXYFHWRGPI-UHFFFAOYSA-N
Catalogue number
GC32694
Brand
GLPBIO
Computed properties PubChem CID 118384725 · XLogP 4.6 · TPSA 112 Ų · H-bond donors 1
XLogP
4.6
TPSA
112 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33

SMILES C1COCCN1C2=CC=C(C=C2)C3(CC(=O)C(C(=O)N3)SC4=CC=CC=C4Cl)C5=CSC=C5

Computed descriptors from PubChem (CID 118384725), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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