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S-2474

CAT: 0931-T16817-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T16817-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
158089-95-3
Target
Lipoxygenase, COX
Related Pathways
Immunology/Inflammation, Metabolism, Neuroscience
Purity
0.9903
Bioactivity
S-2474, an inhibitor of COX-2 and 5-lipoxygenase, has anti-inflammatory and neuroprotective activities and inhibits Abeta (25 - 35) and Abeta (1 - 40) induced cell death.
Smiles
C(\C1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)=C\2/S(=O)(=O)N(CC)CC2
Molecular Formula
C20H31NO3S
Molecular Weight
365.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

S-2474
CAS Number158089-95-3
PubChem CID57370228
IUPAC Name2,6-ditert-butyl-4-[(2-ethyl-1,1-dioxo-1,2-thiazolidin-5-ylidene)methyl]phenol
Molecular FormulaC20H31NO3S
Molecular Weight365.5
XLogP4.9
Topological Polar Surface Area66
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity580
SMILES
CCN1CCC(=CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)S1(=O)=O
InChI
InChI=1S/C20H31NO3S/c1-8-21-10-9-15(25(21,23)24)11-14-12-16(19(2,3)4)18(22)17(13-14)20(5,6)7/h11-13,22H,8-10H2,1-7H3
InChIKey
HFWZBWTWCKQUCB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-2474
CAS: 158089-95-3
CID: 57370228
Formula: C20H31NO3S
MW: 365.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass365.20246502
Monoisotopic Mass365.20246502
Topological Polar Surface Area66 Ų
Heavy Atom Count25
Formal Charge0
Complexity580
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A20699-25S-2474 25mg
A20699-5S-2474 5mg
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A8780-5WM-2474
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