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Home Other Building Blocks 1027330-97-7
1027330-97-7,MFCD25371543
Catalog No.:AA008Y6S

1027330-97-7 | A-943931

Pack Size
Purity
Availability
Price(USD)
Quantity
  
2mg
99%
in stock  
$195.00   $137.00
- +
5mg
99%
in stock  
$293.00   $205.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA008Y6S
Chemical Name:
A-943931
CAS Number:
1027330-97-7
Molecular Formula:
C17H21N5
Molecular Weight:
295.3821
MDL Number:
MFCD25371543
SMILES:
C1CC2=CC=CC=C2C3=C(C1)C(=NC(=N3)N)N4CCC(C4)N
Properties
Computed Properties
 
Complexity:
389  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2.1  

Literature

Title: Ligand based design of novel histamine H₄ receptor antagonists; fragment optimization and analysis of binding kinetics.

Journal: Bioorganic & medicinal chemistry letters 20120101

Title: Rotationally constrained 2,4-diamino-5,6-disubstituted pyrimidines: a new class of histamine H4 receptor antagonists with improved druglikeness and in vivo efficacy in pain and inflammation models.

Journal: Journal of medicinal chemistry 20081023

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SDS
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