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Chemical structure of Cisd2 agonist 1

GC71339

Cisd2 agonist 1

Also known as methyl 2-amino-5-[(4-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate

Cisd2 agonist 1 (Compound 4q) is a Cisd2 agonist (EC50: 34 nM)

ChemicalCAS2916371-54-3MW308.33FormulaC14H13FN2O3S
CAS number
2916371-54-3
Molecular weight
308.33
Formula
C14H13FN2O3S
Solubility
DMSO : 100 mg/mL (324·33 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
QRCRHHUPIOWOOO-UHFFFAOYSA-N
Catalogue number
GC71339
Brand
GLPBIO
Computed properties PubChem CID 167489009 · XLogP 3.3 · TPSA 110 Ų · H-bond donors 2
XLogP
3.3
TPSA
110 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
21

SMILES CC1=C(SC(=C1C(=O)OC)N)C(=O)NC2=CC=C(C=C2)F

Computed descriptors from PubChem (CID 167489009), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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