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Arry-520

CAS No.:
885060-09-3
Catalog Number:
AG00GU0Y
Molecular Formula:
C20H22F2N4O2S
Molecular Weight:
420.4761
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$179
- +
10mg
≥98%
1 week
United States
$248
- +
25mg
≥98%
1 week
United States
$491
- +
Product Description
Catalog Number:
AG00GU0Y
Chemical Name:
Arry-520
CAS Number:
885060-09-3
Molecular Formula:
C20H22F2N4O2S
Molecular Weight:
420.4761
MDL Number:
MFCD18633235
IUPAC Name:
(2S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide
InChI:
InChI=1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1
InChI Key:
LLXISKGBWFTGEI-FQEVSTJZSA-N
SMILES:
NCCC[C@]1(SC(=NN1C(=O)N(OC)C)c1cc(F)ccc1F)c1ccccc1
UNII:
8A49OSO368
Properties
Complexity:
605  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
420.143g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
420.479g/mol
Monoisotopic Mass:
420.143g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Discovery of (+)-N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl)-2-methylpropyl]-4-methylbenzamide (AZD4877), a kinesin spindle protein inhibitor and potential anticancer agent. Journal of medicinal chemistry 20111013
Properties