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Home Other Building Blocks 1401089-31-3
1401089-31-3,MFCD26793891
Catalog No.:AA01ENJX

1401089-31-3 | N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycylglycineethylester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥98%
in stock  
$89.00   $62.00
- +
10mg
≥98%
in stock  
$149.00   $104.00
- +
25mg
≥98%
in stock  
$302.00   $211.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA01ENJX
Chemical Name:
N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycylglycineethylester
CAS Number:
1401089-31-3
Molecular Formula:
C21H22N2O6S
Molecular Weight:
430.4742
MDL Number:
MFCD26793891
SMILES:
CCOC(=O)CNC(=O)C(N(c1ccc(cc1OC)OC)C(=O)C#C)c1cccs1
Properties
Computed Properties
 
Complexity:
663  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
10  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.7  

Literature

Title: Xu S, et al. Discovery of an orally active small-molecule irreversible inhibitor of protein disulfide isomerase for ovarian cancer treatment. Proc Natl Acad Sci U S A. 2012;109(40):16348-16353.

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SDS
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Tags:1401089-31-3 Molecular Formula|1401089-31-3 MDL|1401089-31-3 SMILES|1401089-31-3 N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycylglycineethylester