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Home Amines 173159-57-4
173159-57-4,MFCD16661250
Catalog No.:AA001YLQ

173159-57-4 | Benzamide, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-4-(formylamino)-N,N-dimethyl-

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Purity
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Quantity
  
10mg
97%
in stock  
$86.00   $60.00
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Technical Information
Catalog Number:
AA001YLQ
Chemical Name:
Benzamide, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-4-(formylamino)-N,N-dimethyl-
CAS Number:
173159-57-4
Molecular Formula:
C17H20N6O7S
Molecular Weight:
452.4417
MDL Number:
MFCD16661250
SMILES:
O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C
Properties
Computed Properties
 
Complexity:
732  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
7  
XLogP3:
0.5  

Literature

Title: Discovery of novel CDK1 inhibitors by combining pharmacophore modeling, QSAR analysis and in silico screening followed by in vitro bioassay.

Journal: European journal of medicinal chemistry 20100901

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Tags:173159-57-4 Molecular Formula|173159-57-4 MDL|173159-57-4 SMILES|173159-57-4 Benzamide, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-4-(formylamino)-N,N-dimethyl-