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50892-62-1,MFCD01863368
Catalog No.:AA00DDW6

50892-62-1 | 8-Chloro-5,10-dihydro-11h-dibenzo[b,e][1,4]-diazepin-11-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$21.00   $15.00
- +
1g
98%
in stock  
$52.00   $36.00
- +
5g
98%
in stock  
$171.00   $120.00
- +
10g
97%
in stock  
$311.00   $218.00
- +
25g
97%
in stock  
$469.00   $328.00
- +
100g
97%
in stock  
$1,407.00   $985.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00DDW6
Chemical Name:
8-Chloro-5,10-dihydro-11h-dibenzo[b,e][1,4]-diazepin-11-one
CAS Number:
50892-62-1
Molecular Formula:
C13H9ClN2O
Molecular Weight:
244.6764
MDL Number:
MFCD01863368
SMILES:
Clc1ccc2c(c1)[nH]c(=O)c1c([nH]2)cccc1
Properties
Computed Properties
 
Complexity:
310  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
XLogP3:
3  

Literature

Title: Large-scale application of high-throughput molecular mechanics with Poisson-Boltzmann surface area for routine physics-based scoring of protein-ligand complexes.

Journal: Journal of medicinal chemistry 20090528

Title: Design, synthesis, and biological activity of 5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one-based potent and selective Chk-1 inhibitors.

Journal: Journal of medicinal chemistry 20070823

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SDS
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Tags:50892-62-1 Molecular Formula|50892-62-1 MDL|50892-62-1 SMILES|50892-62-1 8-Chloro-5,10-dihydro-11h-dibenzo[b,e][1,4]-diazepin-11-one