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CX4338

CAT: 0931-T23920-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T23920-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41609-06-7
Target
CXCR, Others
Related Pathways
GPCR/G Protein, Others, Autophagy, Immunology/Inflammation
Bioactivity
CX4338 is a CXCL8-mediated chemotaxis inhibitor.
Smiles
CC1(C)CC(=O)C(C(=S)NC2=CC=CC=C2)=C(C1)NCC1=CC=CC=C1
Molecular Formula
C22H24N2OS
Molecular Weight
364.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
CAS Number41609-06-7
PubChem CID1316559
IUPAC Name2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohexene-1-carbothioamide
Molecular FormulaC22H24N2OS
Molecular Weight364.5
XLogP4.6
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity554
SMILES
CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=CC=C2)NCC3=CC=CC=C3)C
InChI
InChI=1S/C22H24N2OS/c1-22(2)13-18(23-15-16-9-5-3-6-10-16)20(19(25)14-22)21(26)24-17-11-7-4-8-12-17/h3-12,23H,13-15H2,1-2H3,(H,24,26)
InChIKey
AESCWMGFNWXKFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
CAS: 41609-06-7
CID: 1316559
Formula: C22H24N2OS
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass364.16093457
Monoisotopic Mass364.16093457
Topological Polar Surface Area73.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity554
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
HY-119234CX4338

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