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AF 399

CAT: 0013-GTR19174989-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174989-01Size:1 mg
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Description
AF 399 is a small molecule antagonist of the CCR4 chemokine receptor. It is utilized in research to investigate the role of CCR4 in modulating the tumor microenvironment, with applications in both in vitro and in vivo studies of oncology and immunology.
CAS Number
91533-02-7
Product Name Alternative
AF 399, AF399, AF-399
Field of Research
Protein Biochemistry
Purity
99.21% (May vary between batches)
Solubility
DMSO:55 mg/mL (194.11 mM)
Smiles
NS (=O) (=O) C1=CC=C (NC (=O) CN2CCCC2) C=C1
Molecular Formula
C12H17N3O3S
Molecular Weight
283.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(pyrrolidin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CAS Number91533-02-7
PubChem CID176545
IUPAC Name2-pyrrolidin-1-yl-N-(4-sulfamoylphenyl)acetamide
Molecular FormulaC12H17N3O3S
Molecular Weight283.35
XLogP1.1
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity404
SMILES
C1CCN(C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C12H17N3O3S/c13-19(17,18)11-5-3-10(4-6-11)14-12(16)9-15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16)(H2,13,17,18)
InChIKey
CRDXWPKUELSCSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(pyrrolidin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CAS: 91533-02-7
CID: 176545
Formula: C12H17N3O3S
MW: 283.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.35
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass283.09906259
Monoisotopic Mass283.09906259
Topological Polar Surface Area101 Ų
Heavy Atom Count19
Formal Charge0
Complexity404
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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