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Home Other Building Blocks 920022-47-5
920022-47-5,MFCD28963949
Catalog No.:AA01DU7I

920022-47-5 | RO5028442

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10mg
≥98%
in stock  
$82.00   $57.00
- +
50mg
≥98%
in stock  
$256.00   $179.00
- +
100mg
≥98%
in stock  
$472.00   $330.00
- +
250mg
≥98%
in stock  
$1,073.00   $751.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA01DU7I
Chemical Name:
RO5028442
CAS Number:
920022-47-5
Molecular Formula:
C25H28ClN3O2
Molecular Weight:
437.9617
MDL Number:
MFCD28963949
SMILES:
CN(CCn1cc(c2c1cc(Cl)cc2)C(=O)N1CCC2(CC1)OCc1c2cccc1)C
Properties
Computed Properties
 
Complexity:
651  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
4  
XLogP3:
3.3  

Literature

Title: Discovery of highly selective brain-penetrant vasopressin 1a antagonists for the potential treatment of autism via a chemogenomic and scaffold hopping approach.

Journal: Journal of medicinal chemistry 20150312

Title: Ratni H, et al. Discovery of highly selective brain-penetrant vasopressin 1a antagonists for the potential treatment of autism via a chemogenomic and scaffold hopping approach. J Med Chem. 2015 Mar 12;58(5):2275-89.

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SDS
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Tags:920022-47-5 Molecular Formula|920022-47-5 MDL|920022-47-5 SMILES|920022-47-5 RO5028442