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Chemical structure of NQDI 1

GC17577

NQDI 1

Also known as ethyl 8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-16-carboxylate

A selective inhibitor of ASK1

ChemicalCAS175026-96-7MW319.31FormulaC19H13NO4
CAS number
175026-96-7
Molecular weight
319.31
Formula
C19H13NO4
Solubility
DMF： 1 mg/ml,DMF：PBS(pH7·2) (1：2)： 0·3 mg/ml,DMSO： 1 mg/ml
InChIKey
UFJGFNHRMPMALC-UHFFFAOYSA-N
Catalogue number
GC17577
Brand
GLPBIO
Computed properties PubChem CID 5522952 · XLogP 2.5 · TPSA 72.5 Ų · H-bond donors 1
XLogP
2.5
TPSA
72.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24

SMILES CCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C2C(=CC=C4)NC1=O

Computed descriptors from PubChem (CID 5522952), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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