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Dooku1

CAT: 0931-T11076-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T11076-05Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2253744-54-4
Target
Piezo Channel
Related Pathways
Membrane transporter/Ion channel
Purity
0.9974
Bioactivity
Dooku1 is an analog of Yoda1 and a selective antagonist of endogenous Piezo1 channels. Dooku1 inhibits Ca2+ entry induced by 2μMYoda1 with IC50 values of 1.3μM (in HEK 293 cells) and 1.5μM (in HUVEC) . Dooku1 inhibits Yoda1-induced aortic relaxation.
Smiles
Clc1cccc(Cl)c1CSc1nnc(o1)-c1ccc[nH]1
Molecular Formula
C13H9Cl2N3OS
Molecular Weight
326.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dooku1
CAS Number2253744-54-4
PubChem CID137321150
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
Molecular FormulaC13H9Cl2N3OS
Molecular Weight326.2
XLogP3.8
Topological Polar Surface Area80
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity316
SMILES
C1=CC(=C(C(=C1)Cl)CSC2=NN=C(O2)C3=CC=CN3)Cl
InChI
InChI=1S/C13H9Cl2N3OS/c14-9-3-1-4-10(15)8(9)7-20-13-18-17-12(19-13)11-5-2-6-16-11/h1-6,16H,7H2
InChIKey
MNPOBXLPCWFONX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dooku1
CAS: 2253744-54-4
CID: 137321150
Formula: C13H9Cl2N3OS
MW: 326.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight326.2
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass324.9843385
Monoisotopic Mass324.9843385
Topological Polar Surface Area80 Ų
Heavy Atom Count20
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes