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913827-99-3,MFCD26792568
Catalog No.:AA01ENLG

913827-99-3 | 1-[[4-Ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl]methyl]-3-azetidinecarboxylicacid

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10mg
≥97%(HPLC)
in stock  
$393.00   $275.00
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50mg
≥97%(HPLC)
in stock  
$1,134.00   $794.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01ENLG
Chemical Name:
1-[[4-Ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl]methyl]-3-azetidinecarboxylicacid
CAS Number:
913827-99-3
Molecular Formula:
C25H23N3O4S
Molecular Weight:
461.5328
MDL Number:
MFCD26792568
SMILES:
CCc1cc(sc1c1noc(n1)c1ccc(cc1)Oc1ccccc1)CN1CC(C1)C(=O)O
Properties
Computed Properties
 
Complexity:
650  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
8  
XLogP3:
2.4  

Literature

Title: Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist.

Journal: European journal of medicinal chemistry 20120501

Title: Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P₃-sparing S1P₁ agonists.

Journal: Bioorganic & medicinal chemistry letters 20120501

Title: Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist.

Journal: Bioorganic & medicinal chemistry letters 20120215

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SDS
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Tags:913827-99-3 Molecular Formula|913827-99-3 MDL|913827-99-3 SMILES|913827-99-3 1-[[4-Ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl]methyl]-3-azetidinecarboxylicacid