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Chemical structure of SPL 334

GC50270

SPL 334

Also known as 4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid

S-Nitrosoglutathione reductase inhibitor

ChemicalCAS688347-51-5MW433.5FormulaC22H15N3O3S2
CAS number
688347-51-5
Molecular weight
433.5
Formula
C22H15N3O3S2
Solubility
Soluble in DMSO
InChIKey
UWWSCLNCHCROLL-UHFFFAOYSA-N
Catalogue number
GC50270
Brand
GLPBIO
Computed properties PubChem CID 3651705 · XLogP 4.1 · TPSA 147 Ų · H-bond donors 1
XLogP
4.1
TPSA
147 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30

SMILES C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)O)SC=C3)C#N

Computed descriptors from PubChem (CID 3651705), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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