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VAF347

CAT: 1410-M26495-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M26495-05Size:25 mg
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Description
VAF347 is a cell-permeable and highly affinity agonist of the aryl hydrocarbon receptor (AhR) with anti-inflammatory effects.
CAS Number
574759-62-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
349.74
Molecular Formula
C17H11ClF3N3
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Vaf347

Anti-Inflammatory Agents, Non-Steroidal

CAS Number574759-62-9
PubChem CID10172275
IUPAC Name4-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
Molecular FormulaC17H11ClF3N3
Molecular Weight349.7
XLogP5.3
Topological Polar Surface Area37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity399
SMILES
C1=CC(=CC(=C1)Cl)C2=NC(=NC=C2)NC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C17H11ClF3N3/c18-13-3-1-2-11(10-13)15-8-9-22-16(24-15)23-14-6-4-12(5-7-14)17(19,20)21/h1-10H,(H,22,23,24)
InChIKey
XTKUZTBZRIJTFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vaf347
CAS: 574759-62-9
CID: 10172275
Formula: C17H11ClF3N3
MW: 349.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.7
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass349.0593595
Monoisotopic Mass349.0593595
Topological Polar Surface Area37.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity399
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

Alternative Products

CatalogName
MBS5767826VAF347
217163AhR Agonist V, VAF347

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