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ICT5040

CAT: 0931-T25523-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T25523-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
215655-21-3
Target
Others, CXCR
Related Pathways
Immunology/Inflammation, Autophagy, GPCR/G Protein, Others
Bioactivity
ICT5040 is a CXCR4 antagonist.
Smiles
CC1=C(C=CC(C(F)(F)F)=N1)C=2OC(SC)=NN2
Molecular Formula
C10H8F3N3OS
Molecular Weight
275.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Methyl-3-(5-(methylthio)-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine
CAS Number215655-21-3
PubChem CID2795811
IUPAC Name2-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
Molecular FormulaC10H8F3N3OS
Molecular Weight275.25
XLogP2.5
Topological Polar Surface Area77.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity292
SMILES
CC1=C(C=CC(=N1)C(F)(F)F)C2=NN=C(O2)SC
InChI
InChI=1S/C10H8F3N3OS/c1-5-6(8-15-16-9(17-8)18-2)3-4-7(14-5)10(11,12)13/h3-4H,1-2H3
InChIKey
AOFNOJJLNOMAHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-3-(5-(methylthio)-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine
CAS: 215655-21-3
CID: 2795811
Formula: C10H8F3N3OS
MW: 275.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.25
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass275.03401755
Monoisotopic Mass275.03401755
Topological Polar Surface Area77.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity292
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-129094ICT5040

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