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CAY10698

CAT: 0931-T8950-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T8950-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
684236-01-9
Target
Lipoxygenase
Related Pathways
Metabolism
Purity
0.9897
Bioactivity
CAY10698 is a 12-lipoxygenase inhibitor (12-LO; IC50 of 5.1 μM) .
Smiles
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nccs2)c1O
Molecular Formula
C17H17N3O4S2
Molecular Weight
391.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CAS Number684236-01-9
PubChem CID1079729
IUPAC Name4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Molecular FormulaC17H17N3O4S2
Molecular Weight391.5
XLogP2.9
Topological Polar Surface Area137
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity535
SMILES
COC1=CC=CC(=C1O)CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3
InChI
InChI=1S/C17H17N3O4S2/c1-24-15-4-2-3-12(16(15)21)11-19-13-5-7-14(8-6-13)26(22,23)20-17-18-9-10-25-17/h2-10,19,21H,11H2,1H3,(H,18,20)
InChIKey
CENSVXZQMJBVHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CAS: 684236-01-9
CID: 1079729
Formula: C17H17N3O4S2
MW: 391.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass391.06604838
Monoisotopic Mass391.06604838
Topological Polar Surface Area137 Ų
Heavy Atom Count26
Formal Charge0
Complexity535
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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Alternative Products

CatalogName
BA7925-5.1CAY10698
A22517-50CAY10698 50mg
A22517-1CAY10698 1mg
A22517-500CAY10698 500mg
A22517-100CAY10698 100mg
A22517-25CAY10698 25mg
A22517-10CAY10698 10mg
A22517-5CAY10698 5mg
A22517-2CAY10698 2mg
A22517-10mM-DCAY10698 10mM * 1mL in DMSO

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