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CZC-25146

CAS No.:
1191911-26-8
Catalog Number:
AG008TFB
Molecular Formula:
C22H25FN6O4S
Molecular Weight:
488.5351
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$168
- +
10mg
98%
1 week
United States
$251
- +
50mg
98%
1 week
United States
$835
- +
100mg
98%
1 week
United States
$1418
- +
Product Description
Catalog Number:
AG008TFB
Chemical Name:
CZC-25146
CAS Number:
1191911-26-8
Molecular Formula:
C22H25FN6O4S
Molecular Weight:
488.5351
MDL Number:
MFCD28160475
IUPAC Name:
N-[2-[[5-fluoro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
InChI:
InChI=1S/C22H25FN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h3-8,13-14,28H,9-12H2,1-2H3,(H2,24,25,26,27)
InChI Key:
XXHHOTZUJIXPJX-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1NS(=O)(=O)C)F)N1CCOCC1
Properties
Complexity:
737  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.164g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
488.538g/mol
Monoisotopic Mass:
488.164g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
The development of CNS-active LRRK2 inhibitors using property-directed optimisation. Bioorganic & medicinal chemistry letters 20130701
Altered responsiveness of adenosine 3',5'-monophosphate-generating systems in rat cortical slices after lesions of the medial forebran bundle. Experimental neurology 19751201
Properties