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CGH 2466 dihydrochloride

CAT: 0607-B7027-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7027-10Size:10 mg
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Description
adenosine receptor antagonist
CAS Number
1177618-54-0
Product Name Alternative
4-(3,4-dichlorophenyl)-5-(pyridin-4-yl)thiazol-2(3H)-imine dihydrochloride
Field of Research
GPCR G protein Adenosine Receptor
Purity
0.98
Form
Yellow solid
Solubility
insoluble in DMSO;insoluble in ethanol
Smiles
ClC1=C(Cl)C=C(C(NC2=N)=C(S2)C3=CC=NC=C3)C=C1
Molecular Formula
C14H9N3SCl2·2HCl
Molecular Weight
395.13
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Cgh 2466 dihydrochloride
CAS Number1177618-54-0
PubChem CID16759176
IUPAC Name4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine;dihydrochloride
Molecular FormulaC14H11Cl4N3S
Molecular Weight395.1
Topological Polar Surface Area80
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity328
SMILES
C1=CC(=C(C=C1C2=C(SC(=N2)N)C3=CC=NC=C3)Cl)Cl.Cl.Cl
InChI
InChI=1S/C14H9Cl2N3S.2ClH/c15-10-2-1-9(7-11(10)16)12-13(20-14(17)19-12)8-3-5-18-6-4-8;;/h1-7H,(H2,17,19);2*1H
InChIKey
WHXRCTIBFLXKFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cgh 2466 dihydrochloride
CAS: 1177618-54-0
CID: 16759176
Formula: C14H11Cl4N3S
MW: 395.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight395.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass394.939829
Monoisotopic Mass392.942779
Topological Polar Surface Area80 Ų
Heavy Atom Count22
Formal Charge0
Complexity328
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes