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Chemical structure of Thr101

GC72954

Thr101

Also known as 6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one

Thr101 is an inhibitor (IC50=2·9 μM) of phosphomannose isomerase (PMI)

ChemicalCAS727664-79-1MW259.3FormulaC14H10FNOS
CAS number
727664-79-1
Molecular weight
259.3
Formula
C14H10FNOS
Solubility
DMSO : 100 mg/mL (385·65 mM; ultrasonic and warming and heat to 80°C)
InChIKey
BUIZTXXZBDUOCR-UHFFFAOYSA-N
Catalogue number
GC72954
Brand
GLPBIO
Computed properties PubChem CID 1510379 · XLogP 3.5 · TPSA 45.6 Ų · H-bond donors 0
XLogP
3.5
TPSA
45.6 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18

SMILES CC1=CC=CC=C1N2C(=O)C3=C(S2)C=C(C=C3)F

Computed descriptors from PubChem (CID 1510379), 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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