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Chemical structure of S26131

GC38844

S26131

Also known as N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide

S26131 (compound 5) is a potent and selective MT1 melatoninergic ligand, and the Ki values are 0·5 and 112 nM for MT1 and MT2, respectively

ChemicalCAS296280-56-3MW498.61FormulaC31H34N2O4
CAS number
296280-56-3
Molecular weight
498.61
Formula
C31H34N2O4
Solubility
DMSO： 5 mg/mL (10·03 mM)
InChIKey
NSXBZYDTTKLTOH-UHFFFAOYSA-N
Catalogue number
GC38844
Brand
GLPBIO
Computed properties PubChem CID 9870523 · XLogP 5.6 · TPSA 76.7 Ų · H-bond donors 2
XLogP
5.6
TPSA
76.7 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
37

SMILES CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCCCOC3=CC4=C(C=CC=C4CCNC(=O)C)C=C3

Computed descriptors from PubChem (CID 9870523), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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