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AVE-2865

CAT: 0013-GTR19195538-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195538-03Size:100 mg
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Description
AVE-2865 is a small molecule compound for research use. It is utilized in biochemical studies, including in vitro assays and in vivo models, to investigate its role in cellular pathways and disease mechanisms.
CAS Number
648917-13-9
Smiles
O=C (NC (=O) C1=CC (F) =C (F) C=C1Cl) NC2=CC (F) =CC=C2N3CCC (C (=O) O) CC3
Molecular Formula
C20H17ClF3N3O4
Molecular Weight
455.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2-((((2-Chloro-4,5-difluorophenyl)carbonyl)carbamoyl)amino)-4-fluorophenyl)piperidine-4-carboxylic acid
CAS Number648917-13-9
PubChem CID12148754
IUPAC Name1-[2-[(2-chloro-4,5-difluorobenzoyl)carbamoylamino]-4-fluorophenyl]piperidine-4-carboxylic acid
Molecular FormulaC20H17ClF3N3O4
Molecular Weight455.8
XLogP4
Topological Polar Surface Area98.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity680
SMILES
C1CN(CCC1C(=O)O)C2=C(C=C(C=C2)F)NC(=O)NC(=O)C3=CC(=C(C=C3Cl)F)F
InChI
InChI=1S/C20H17ClF3N3O4/c21-13-9-15(24)14(23)8-12(13)18(28)26-20(31)25-16-7-11(22)1-2-17(16)27-5-3-10(4-6-27)19(29)30/h1-2,7-10H,3-6H2,(H,29,30)(H2,25,26,28,31)
InChIKey
KAJJGOCSAXKXBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-((((2-Chloro-4,5-difluorophenyl)carbonyl)carbamoyl)amino)-4-fluorophenyl)piperidine-4-carboxylic acid
CAS: 648917-13-9
CID: 12148754
Formula: C20H17ClF3N3O4
MW: 455.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.8
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass455.0859682
Monoisotopic Mass455.0859682
Topological Polar Surface Area98.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity680
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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