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SPC-839

CAT: 0013-GTR19196450-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196450-02Size:50 mg
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Description
SPC-839
CAS Number
219773-55-4
Field of Research
Cell Biology, Molecular Biology, Signal Transduction
Smiles
N (C=1C2=C (N=C (N1) C3=CC=CS3) C=CC=C2OC) N4C (=O) C=C (C) C4=O
Molecular Formula
C18H14N4O3S
Molecular Weight
366.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

As-602868

an inhibitor of activator protein 1; structure in first source

CAS Number219773-55-4
PubChem CID9820526
IUPAC Name1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrole-2,5-dione
Molecular FormulaC18H14N4O3S
Molecular Weight366.4
XLogP3
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity613
SMILES
CC1=CC(=O)N(C1=O)NC2=NC(=NC3=C2C(=CC=C3)OC)C4=CC=CS4
InChI
InChI=1S/C18H14N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-9H,1-2H3,(H,19,20,21)
InChIKey
GZGLPBNOIFLLRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of As-602868
CAS: 219773-55-4
CID: 9820526
Formula: C18H14N4O3S
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass366.07866149
Monoisotopic Mass366.07866149
Topological Polar Surface Area113 Ų
Heavy Atom Count26
Formal Charge0
Complexity613
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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