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Chemical structure of Phytoene desaturase-IN-1

GC71144

Phytoene desaturase-IN-1

Also known as 1-(4-chlorophenyl)-2-[[5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone

Phytoene desaturase-IN-1 is a potent phytoene desaturase (PDS) inhibitor (Kd: 65·9 μM) through π-π stacking effect with Phe301 residue

ChemicalCAS2765793-54-0MW427.83FormulaC18H13ClF3N3O2S
CAS number
2765793-54-0
Molecular weight
427.83
Formula
C18H13ClF3N3O2S
Solubility
DMSO : 125 mg/mL (292·17 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
NKQUGCNEDWUGHV-UHFFFAOYSA-N
Catalogue number
GC71144
Brand
GLPBIO
Computed properties PubChem CID 164886646 · XLogP 4 · TPSA 93.3 Ų · H-bond donors 1
XLogP
4
TPSA
93.3 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
28

SMILES C1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)CO)C(F)(F)F

Computed descriptors from PubChem (CID 164886646), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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