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MI 2 MALT1 inhibitor

CAS No.:
1047953-91-2
Catalog Number:
AG008THY
Molecular Formula:
C19H17Cl3N4O3
Molecular Weight:
455.7223
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
100mg
98+%
1 week
United States
$178
- +
Product Description
Catalog Number:
AG008THY
Chemical Name:
MI 2 MALT1 inhibitor
CAS Number:
1047953-91-2
Molecular Formula:
C19H17Cl3N4O3
Molecular Weight:
455.7223
MDL Number:
MFCD19754074
IUPAC Name:
2-chloro-N-[4-[5-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]phenyl]acetamide
InChI:
InChI=1S/C19H17Cl3N4O3/c1-28-8-9-29-19-24-18(12-2-7-15(21)16(22)10-12)26(25-19)14-5-3-13(4-6-14)23-17(27)11-20/h2-7,10H,8-9,11H2,1H3,(H,23,27)
InChI Key:
TWJGQZBSEMDPQP-UHFFFAOYSA-N
SMILES:
COCCOc1nn(c(n1)c1ccc(c(c1)Cl)Cl)c1ccc(cc1)NC(=O)CCl
Properties
Complexity:
525  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.037g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
455.72g/mol
Monoisotopic Mass:
454.037g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties