Home Other Building Blocks IRAK inhibitor 3

IRAK inhibitor 3

CAS No.:
1012343-93-9
Catalog Number:
AG008TGZ
Molecular Formula:
C21H21N5O4S
Molecular Weight:
439.4875
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$460
- +
10mg
98%
1 week
United States
$607
- +
50mg
98%
1 week
United States
$1487
- +
Product Description
Catalog Number:
AG008TGZ
Chemical Name:
IRAK inhibitor 3
CAS Number:
1012343-93-9
Molecular Formula:
C21H21N5O4S
Molecular Weight:
439.4875
MDL Number:
MFCD22124482
IUPAC Name:
4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
InChI:
InChI=1S/C21H21N5O4S/c1-29-18-8-5-15(11-19(18)30-2)17-13-24-21-10-9-20(25-26(17)21)23-12-14-3-6-16(7-4-14)31(22,27)28/h3-11,13H,12H2,1-2H3,(H,23,25)(H2,22,27,28)
InChI Key:
UPFVAHVWLNBVSG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)c1cnc2n1nc(NCc1ccc(cc1)S(=O)(=O)N)cc2
Properties
Complexity:
682  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.131g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
439.49g/mol
Monoisotopic Mass:
439.131g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties