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MK-0359 besylate

CAT: 0931-T69399-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69399-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
346630-09-9
Target
Others
Related Pathways
Others
Bioactivity
MK-0359 besylate is a Phosphodiesterase-4 (PDE4) inhibitor.
Smiles
S(=O)(=O)(O)C1=CC=CC=C1.C(S(C)(=O)=O)(C)(C)C=1C=C(C2=C(C1)C=CC=N2)C3=CC(/C=C(\C4=CC=C(S(C)(=O)=O)C=C4)/C=5ON=C(C)N5)=CC=C3
Molecular Formula
C37H35N3O8S3
Molecular Weight
745.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Quinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)-, benzenesulfonate (1:1)
CAS Number346630-09-9
PubChem CID9853497
IUPAC Namebenzenesulfonic acid;3-methyl-5-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,2,4-oxadiazole
Molecular FormulaC37H35N3O8S3
Molecular Weight745.9
Topological Polar Surface Area200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count51
Formal Charge0
Complexity1330
SMILES
CC1=NOC(=N1)/C(=C/C2=CC(=CC=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)/C5=CC=C(C=C5)S(=O)(=O)C.C1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C31H29N3O5S2.C6H6O3S/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27;7-10(8,9)6-4-2-1-3-5-6/h6-19H,1-5H3;1-5H,(H,7,8,9)/b28-17+;
InChIKey
AJIOTCZAAOYCQD-HYEBSWNJSA-N
Chemical Structure
2D Structure
2D structure of Quinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)-, benzenesulfonate (1:1)
CAS: 346630-09-9
CID: 9853497
Formula: C37H35N3O8S3
MW: 745.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight745.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass745.15862860
Monoisotopic Mass745.15862860
Topological Polar Surface Area200 Ų
Heavy Atom Count51
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes