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Chemical structure of HJ445A

GC74019

HJ445A

Also known as 3-[3-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-[4-(triazol-2-yl)butyl]benzamide

HJ445A is a potent MYOF inhibitor and binds to the MYOF-C2D domain with a KD of 0·17 μM

ChemicalCAS3032441-59-8MW445.52FormulaC24H27N7O2
CAS number
3032441-59-8
Molecular weight
445.52
Formula
C24H27N7O2
Solubility
DMSO ： 100 mg/mL (224·46 mM; Need ultrasonic)
InChIKey
URMOEUMTLANRDL-UHFFFAOYSA-N
Catalogue number
GC74019
Brand
GLPBIO
Computed properties PubChem CID 169494246 · XLogP 4.1 · TPSA 99.8 Ų · H-bond donors 1
XLogP
4.1
TPSA
99.8 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
33

SMILES CCC1=NN(C(=N1)C2=CC=C(C=C2)OC)C3=CC=CC(=C3)C(=O)NCCCCN4N=CC=N4

Computed descriptors from PubChem (CID 169494246), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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