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Chemical structure of KT109 N2 Regioisomer

GC44015

KT109 N2 Regioisomer

Also known as (2-benzylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-2-yl]methanone

KT109 N2 regioisomer is an N2-carbamoylated regioisomer of the diacylglycerol lipase β (DAGLβ) inhibitor KT109

ChemicalCAS2749638-90-0MW422.5FormulaC27H26N4O
CAS number
2749638-90-0
Molecular weight
422.5
Formula
C27H26N4O
Solubility
DMF： 10 mg/mL,DMSO： 10 mg/mL
InChIKey
WMCOXOOJRVMPMD-UHFFFAOYSA-N
Catalogue number
GC44015
Brand
GLPBIO
Computed properties PubChem CID 137700497 · XLogP 6.3 · TPSA 51 Ų · H-bond donors 0
XLogP
6.3
TPSA
51 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
32

SMILES C1CCN(C(C1)CC2=CC=CC=C2)C(=O)N3N=CC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5

Computed descriptors from PubChem (CID 137700497), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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