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Sr-3677

CAS No.:
1072959-67-1
Catalog Number:
AG008ROB
Molecular Formula:
C22H24N4O4
Molecular Weight:
408.4504
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$105
- +
5mg
≥95%
1 week
United States
$190
- +
10mg
99%
1 week
United States
$223
- +
50mg
99%
1 week
United States
$590
- +
100mg
99%
1 week
United States
$973
- +
Product Description
Catalog Number:
AG008ROB
Chemical Name:
Sr-3677
CAS Number:
1072959-67-1
Molecular Formula:
C22H24N4O4
Molecular Weight:
408.4504
MDL Number:
MFCD16619390
IUPAC Name:
N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
InChI:
InChI=1S/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27)
InChI Key:
OQWZIAVXCYIZNN-UHFFFAOYSA-N
SMILES:
CN(CCOc1cc(ccc1NC(=O)C1COc2c(O1)cccc2)c1c[nH]nc1)C
Properties
Complexity:
563  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.18g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
408.458g/mol
Monoisotopic Mass:
408.18g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Discovery of substituted 4-(pyrazol-4-yl)-phenylbenzodioxane-2-carboxamides as potent and highly selective Rho kinase (ROCK-II) inhibitors. Journal of medicinal chemistry 20081113
Properties