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Chemical structure of KF 38789

GC14589

KF 38789

Also known as 3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methylpyran-2-one

KF 38789 is a novel, low molecular weight P-selectin inhibitors displayed an IC50 of 1·97µM

ChemicalCAS257292-29-8MW375.44FormulaC19H21NO5S
CAS number
257292-29-8
Molecular weight
375.44
Formula
C19H21NO5S
Solubility
<37·54mg/ml in DMSO
InChIKey
NHFIAAAMCYVRIW-UHFFFAOYSA-N
Catalogue number
GC14589
Brand
GLPBIO
Computed properties PubChem CID 135400439 · XLogP 2.2 · TPSA 103 Ų · H-bond donors 1
XLogP
2.2
TPSA
103 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
26

SMILES CC1=CC(=C(C(=O)O1)C2=NCCSC(C2)C3=C(C=C(C=C3)OC)OC)O

Computed descriptors from PubChem (CID 135400439), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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