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AG-1801

CAT: 0013-GTR19195867-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195867-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AG-1801 is a bioactive small molecule compound utilized in biochemical research. It serves as a tool compound for investigating cellular pathways in both in vitro assays and in vivo model systems, supporting studies in areas such as signal transduction and disease mechanisms.
CAS Number
204010-55-9
Smiles
O=C (NCc1ccccc1) C (=Cc1ccc (cc1) N (=O) =O) C#N |w:11.12|
Molecular Formula
C17H13N3O3
Molecular Weight
307.309
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AG-1801
CAS Number204010-55-9
PubChem CID681769
IUPAC Name(E)-N-benzyl-2-cyano-3-(4-nitrophenyl)prop-2-enamide
Molecular FormulaC17H13N3O3
Molecular Weight307.30
XLogP2.9
Topological Polar Surface Area98.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity501
SMILES
C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C#N
InChI
InChI=1S/C17H13N3O3/c18-11-15(10-13-6-8-16(9-7-13)20(22)23)17(21)19-12-14-4-2-1-3-5-14/h1-10H,12H2,(H,19,21)/b15-10+
InChIKey
GBMZRAHROINDEX-XNTDXEJSSA-N
Chemical Structure
2D Structure
2D structure of AG-1801
CAS: 204010-55-9
CID: 681769
Formula: C17H13N3O3
MW: 307.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.30
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass307.09569129
Monoisotopic Mass307.09569129
Topological Polar Surface Area98.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity501
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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