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Chemical structure of PfDHODH-IN-2

GC61177

PfDHODH-IN-2

Also known as ethyl 5-(4-chlorophenyl)imino-3-hydroxy-2H-thiophene-4-carboxylate

PfDHODH-IN-2, a dihydrothiophenone derivative (Compound 11), is a potent Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitor with an IC50 of 1·11 ?M

ChemicalCAS425629-94-3MW297.76FormulaC13H12ClNO3S
CAS number
425629-94-3
Molecular weight
297.76
Formula
C13H12ClNO3S
Solubility
DMSO： 12·5 mg/mL (41·98 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
APZUOZADGNBHOB-UHFFFAOYSA-N
Catalogue number
GC61177
Brand
GLPBIO
Computed properties PubChem CID 135449276 · XLogP 3.6 · TPSA 84.2 Ų · H-bond donors 1
XLogP
3.6
TPSA
84.2 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
19

SMILES CCOC(=O)C1=C(CSC1=NC2=CC=C(C=C2)Cl)O

Computed descriptors from PubChem (CID 135449276), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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