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VUF 5574

CAT: 1410-M27736-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M27736-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Human adenosine A3 receptor antagonist.
CAS Number
280570-45-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
371.4
Molecular Formula
C21H17N5O2
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Vuf5574
CAS Number280570-45-8
PubChem CID4046493
IUPAC Name1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea
Molecular FormulaC21H17N5O2
Molecular Weight371.4
XLogP3
Topological Polar Surface Area89
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity519
SMILES
COC1=CC=CC=C1NC(=O)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4
InChI
InChI=1S/C21H17N5O2/c1-28-18-11-5-4-10-17(18)24-21(27)26-20-15-8-2-3-9-16(15)23-19(25-20)14-7-6-12-22-13-14/h2-13H,1H3,(H2,23,24,25,26,27)
InChIKey
YRAFEJSZTVWUMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vuf5574
CAS: 280570-45-8
CID: 4046493
Formula: C21H17N5O2
MW: 371.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass371.13822480
Monoisotopic Mass371.13822480
Topological Polar Surface Area89 Ų
Heavy Atom Count28
Formal Charge0
Complexity519
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

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