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Chemical structure of XMD8-92

GC11076

XMD8-92

Also known as 2-[2-ethoxy-4-(4-hydroxypiperidin-1-yl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one

A selective ERK5 inhibitor

ChemicalCAS1234480-50-2MW474.57FormulaC26H30N6O3
CAS number
1234480-50-2
Molecular weight
474.57
Formula
C26H30N6O3
Solubility
≥ 23·75 mg/mL in DMSO
InChIKey
QAPAJIZPZGWAND-UHFFFAOYSA-N
Catalogue number
GC11076
Brand
GLPBIO
Computed properties PubChem CID 46843772 · XLogP 3.5 · TPSA 94.1 Ų · H-bond donors 2
XLogP
3.5
TPSA
94.1 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
35

SMILES CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C

Computed descriptors from PubChem (CID 46843772), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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