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Home Amines 1594094-64-0
1594094-64-0,MFCD28009372
Catalog No.:AA00ABGU

1594094-64-0 | 2-[(2S)-2-(Benzylamino)-3-phenylpropanamido]-5-iodobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
99%
in stock  
$21.00   $15.00
- +
2mg
99%
in stock  
$31.00   $22.00
- +
5mg
99%
in stock  
$68.00   $48.00
- +
10mg
99%
in stock  
$129.00   $90.00
- +
25mg
98%
in stock  
$227.00   $159.00
- +
  • Technical Information
  • Properties
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00ABGU
Chemical Name:
2-[(2S)-2-(Benzylamino)-3-phenylpropanamido]-5-iodobenzoic acid
CAS Number:
1594094-64-0
Molecular Formula:
C23H21IN2O3
Molecular Weight:
500.3289
MDL Number:
MFCD28009372
SMILES:
Ic1ccc(c(c1)C(=O)O)NC(=O)[C@H](Cc1ccccc1)NCc1ccccc1
Properties
Computed Properties
 
Complexity:
532  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
8  
XLogP3:
2.6  

Literature

Title: Watts CA, et al. Design, synthesis, and biological evaluation of an allosteric inhibitor of HSET that targets cancer cells with supernumerary centrosomes. Chem Biol. 2013 Nov 21;20(11):1399-410.

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Tags:1594094-64-0 Molecular Formula|1594094-64-0 MDL|1594094-64-0 SMILES|1594094-64-0 2-[(2S)-2-(Benzylamino)-3-phenylpropanamido]-5-iodobenzoic acid