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Chemical structure of Dooku1

GC38553

Dooku1

Also known as 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole

Dooku1, a reversible Yoda1 antagonist, has a concentration-dependent inhibitory effect against Yoda1-induced Ca2+ entry in HUVECs, acting with an IC50 of 1·49μM

ChemicalCAS2253744-54-4MW326.2FormulaC13H9Cl2N3OS
CAS number
2253744-54-4
Molecular weight
326.2
Formula
C13H9Cl2N3OS
Solubility
DMSO： 125 mg/mL (383·20 mM)
InChIKey
MNPOBXLPCWFONX-UHFFFAOYSA-N
Catalogue number
GC38553
Brand
GLPBIO
Computed properties PubChem CID 137321150 · XLogP 3.8 · TPSA 80 Ų · H-bond donors 1
XLogP
3.8
TPSA
80 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20

SMILES C1=CC(=C(C(=C1)Cl)CSC2=NN=C(O2)C3=CC=CN3)Cl

Computed descriptors from PubChem (CID 137321150), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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