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18623-44-4,MFCD00703657
Catalog No.:AA00ATBT

18623-44-4 | 4-(5-(3,4-Dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10mg
99%
in stock  
$215.00   $150.00
- +
50mg
99%
in stock  
$568.00   $398.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA00ATBT
Chemical Name:
4-(5-(3,4-Dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
CAS Number:
18623-44-4
Molecular Formula:
C16H17NO5S2
Molecular Weight:
367.4399
MDL Number:
MFCD00703657
SMILES:
COc1cc(ccc1OC)/C=C/1\SC(=S)N(C1=O)CCCC(=O)O
Properties
Computed Properties
 
Complexity:
537  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
7  
XLogP3:
2.8  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:18623-44-4 Molecular Formula|18623-44-4 MDL|18623-44-4 SMILES|18623-44-4 4-(5-(3,4-Dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid