Home Quinolines 1009104-85-1
1009104-85-1,MFCD24368989
Catalog No.:AA00032Y
1009104-85-1 | 2-Propen-1-one, 1-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-
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1mg
≥98%
1 week  
$209.00   $146.00
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5mg
≥98%
1 week  
$547.00   $383.00
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Technical Information
Catalog Number:
AA00032Y
Chemical Name:
2-Propen-1-one, 1-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-
CAS Number:
1009104-85-1
Molecular Formula:
C28H27N3O3
Molecular Weight:
453.5323
MDL Number:
MFCD24368989
IUPAC Name:
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one
InChI:
InChI=1S/C28H27N3O3/c1-30-27(19-8-5-4-6-9-19)22(23-10-7-14-29-28(23)30)11-12-26(32)31-15-13-20-16-24(33-2)25(34-3)17-21(20)18-31/h4-12,14,16-17H,13,15,18H2,1-3H3
InChI Key:
IJYPHMXWKKKHGT-UHFFFAOYSA-N
SMILES:
COc1cc2CN(CCc2cc1OC)C(=O)C=Cc1c(c2ccccc2)n(c2c1cccn2)C
Properties
Computed Properties
 
Complexity:
724  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.205g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.542g/mol
Monoisotopic Mass:
453.205g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.3  

Synonyms
 
1009104-85-1 
CTK8E8837 
DTXSID10648018 
IN1090 
1-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one 
Smad3 Inhibitor, SIS3 
SMAD3 Inhibtor, SIS 3 
Literature
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