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CCG-63802

CAT: 0607-A3289-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A3289-10Size:10 mg
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Description
RGS protein inhibitor
CAS Number
620112-78-9
Product Name Alternative
(E)-2-(1,3-benzothiazol-2-yl)-3-[9-methyl-2-(3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Sequence
CCG 63802;CCG63802
Field of Research
GPCR G protein RGS
Purity
0.98
Form
Yellow solid
Solubility
Limited solubility, soluble in DMSO
Smiles
CC1=CC(=CC=C1)OC2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C4=NC5=CC=CC=C5S4
Molecular Formula
C26H18N4O2S
Molecular Weight
450.52
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Ccg-63802
CAS Number620112-78-9
PubChem CID6057678
IUPAC Name(E)-2-(1,3-benzothiazol-2-yl)-3-[9-methyl-2-(3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Molecular FormulaC26H18N4O2S
Molecular Weight450.5
XLogP4.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity1030
SMILES
CC1=CC(=CC=C1)OC2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C4=NC5=CC=CC=C5S4
InChI
InChI=1S/C26H18N4O2S/c1-16-7-5-9-19(13-16)32-24-20(26(31)30-12-6-8-17(2)23(30)29-24)14-18(15-27)25-28-21-10-3-4-11-22(21)33-25/h3-14H,1-2H3/b18-14+
InChIKey
VFSVKVQMZDJFQX-NBVRZTHBSA-N
Chemical Structure
2D Structure
2D structure of Ccg-63802
CAS: 620112-78-9
CID: 6057678
Formula: C26H18N4O2S
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass450.11504700
Monoisotopic Mass450.11504700
Topological Polar Surface Area107 Ų
Heavy Atom Count33
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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