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NCT-503

CAT: 0957-S8619-01Size: 5 mgDry Ice: YesHazardous: No
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CAT#:0957-S8619-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NCT-503 is a phosphoglycerate dehydrogenase (PHGDH) inhibitor with the IC50 value of 2.5 μM. It is inactive against a panel of other dehydrogenases and shows minimal cross-reactivity in a panel of 168 GPCRs.
CAS Number
1916571-90-8
Target
Dehydrogenase
Activity
Metabolism
Molecular Formula
C20H23F3N4S
Storage Conditions
2 years -80 in solvent

Chemical Information

Nct-503

small molecule inhibitor of phosphoglycerate dehydrogenase (PHGDH)

CAS Number1916571-90-8
PubChem CID118796328
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbothioamide
Molecular FormulaC20H23F3N4S
Molecular Weight408.5
XLogP3.9
Topological Polar Surface Area63.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity514
SMILES
CC1=CC(=NC(=C1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)C(F)(F)F)C
InChI
InChI=1S/C20H23F3N4S/c1-14-11-15(2)24-18(12-14)25-19(28)27-9-7-26(8-10-27)13-16-3-5-17(6-4-16)20(21,22)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,25,28)
InChIKey
PJNSZIQUFLWRLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nct-503
CAS: 1916571-90-8
CID: 118796328
Formula: C20H23F3N4S
MW: 408.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass408.15955241
Monoisotopic Mass408.15955241
Topological Polar Surface Area63.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity514
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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Alternative Products

CatalogName
460613-01NCT-503
A17132-100NCT-503 100mg
A17132-50NCT-503 50mg
A17132-10NCT-503 10mg
A17132-25NCT-503 25mg
A17132-5NCT-503 5mg
A17132-500NCT-503 500mg
A17132-200NCT-503 200mg
A17132-2NCT-503 2mg

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