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Chemical structure of E-7386

GC33403

E-7386

Also known as (6S,9aS)-N-benzyl-8-[[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methyl]-6-[(2-fluoro-4-hydroxyphenyl)methyl]-4,7-dioxo-2-prop-2-enyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide

E-7386 is an orally active CBP/beta-catenin modulator

ChemicalCAS1799824-08-0MW725.85FormulaC39H48FN9O4
CAS number
1799824-08-0
Molecular weight
725.85
Formula
C39H48FN9O4
Solubility
Methanol： 250 mg/mL (344·42 mM); DMSO： 125 mg/mL (172·21 mM)
InChIKey
ZGNKNLOBYFTGRG-GIWKVKTRSA-N
Catalogue number
GC33403
Brand
GLPBIO
Computed properties PubChem CID 91810345 · XLogP 3.4 · TPSA 119 Ų · H-bond donors 2
XLogP
3.4
TPSA
119 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
53

SMILES CCN1CCN(CC1)C2CN(C2)C3=CC=CC(=N3)CN4C[C@H]5N([C@H](C4=O)CC6=C(C=C(C=C6)O)F)C(=O)CN(N5C(=O)NCC7=CC=CC=C7)CC=C

Computed descriptors from PubChem (CID 91810345), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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