| CAS Number | 1012343-93-9 |
| Catalog Number | AG008TGZ |
| Chemical Name | 4-[[[3-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide |
| 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 |
| MDL Number | MFCD22124482 |
| Molecular Formula | C21H21N5O4S |
| Molecular Weight | 439.4875 |
| SMILES | O=S(=O)(N)C1C=CC(CNC2C=CC3N(C(=CN=3)C3C=CC(OC)=C(OC)C=3)N=2)=CC=1 |
| Synonyms | IRAK inhibitor 3,
1012343-93-9,
C21H21N5O4S,
4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide,
SCHEMBL1053021,
DTXSID00648709,
3745AH,
ZINC95641933,
CS-0605,
NCGC00379067-01,
HY-13277,
W-5874,
SR-01000377174,
SR-01000377174-1,
4-({[3-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino}methyl)benzene-1-sulfonamide,
A3502,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number