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IRAK inhibitor 6

CAS No.:
1042672-97-8
Catalog Number:
AG008TH1
Molecular Formula:
C20H20N4O3S
Molecular Weight:
396.4628
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$460
- +
10mg
99%
1 week
United States
$607
- +
50mg
99%
1 week
United States
$1487
- +
Product Description
Catalog Number:
AG008TH1
Chemical Name:
IRAK inhibitor 6
CAS Number:
1042672-97-8
Molecular Formula:
C20H20N4O3S
Molecular Weight:
396.4628
MDL Number:
MFCD22124485
IUPAC Name:
N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
InChI:
InChI=1S/C20H20N4O3S/c1-26-18-11-15(24-7-9-27-10-8-24)4-5-16(18)22-19(25)17-13-28-20(23-17)14-3-2-6-21-12-14/h2-6,11-13H,7-10H2,1H3,(H,22,25)
InChI Key:
JQSRUVXPODZKAF-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1NC(=O)c1csc(n1)c1cccnc1)N1CCOCC1
Properties
Complexity:
520  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.126g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
396.465g/mol
Monoisotopic Mass:
396.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
IRAK-4 inhibitors. Part 1: a series of amides. Bioorganic & medicinal chemistry letters 20080601
Properties