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Chemical structure of NCT-502

GC16860

NCT-502

Also known as N-(4,6-dimethyl-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbothioamide

inhibitor of 3-phosphoglycerate dehydrogenase (PHGDH)

ChemicalCAS1542213-00-2MW395.4FormulaC18H20F3N5S
CAS number
1542213-00-2
Molecular weight
395.4
Formula
C18H20F3N5S
Solubility
≤30mg/ml in ethanol;30mg/ml in DMSO;30mg/ml in dimethyl formamide
InChIKey
HHKPPMSUPATMKP-UHFFFAOYSA-N
Catalogue number
GC16860
Brand
GLPBIO
Computed properties PubChem CID 49853368 · XLogP 3.5 · TPSA 76.4 Ų · H-bond donors 1
XLogP
3.5
TPSA
76.4 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
27

SMILES CC1=CC(=NC(=C1)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C

Computed descriptors from PubChem (CID 49853368), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.