[email protected] +1 858-523-8231
AA Blocks, Building Blocks, Catalysts, Inhibitors Login | Register
AA Blocks, Building Blocks, Catalysts, Inhibitors
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)-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$203.00   $142.00
- +
5mg
≥98%
in stock  
$516.00   $362.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
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
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Submit
Q & A
Related Products
1009104-85-1

1009104-85-1

 521984-48-5

521984-48-5
Building Blocks
More >