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ML216

CAS No.:
1430213-30-1
Catalog Number:
AG009CDG
Molecular Formula:
C15H9F4N5OS
Molecular Weight:
383.3235
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$133
- +
10mg
≥98%
1 week
United States
$193
- +
25mg
≥98%
1 week
United States
$361
- +
50mg
99%
1 week
United States
$523
- +
Product Description
Catalog Number:
AG009CDG
Chemical Name:
ML216
CAS Number:
1430213-30-1
Molecular Formula:
C15H9F4N5OS
Molecular Weight:
383.3235
MDL Number:
MFCD24849400
IUPAC Name:
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
InChI:
InChI=1S/C15H9F4N5OS/c16-11-2-1-9(7-10(11)15(17,18)19)21-13(25)22-14-24-23-12(26-14)8-3-5-20-6-4-8/h1-7H,(H2,21,22,24,25)
InChI Key:
WMCOYUSJXXCHFH-UHFFFAOYSA-N
SMILES:
O=C(Nc1nnc(s1)c1ccncc1)Nc1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
491  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.046g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
383.325g/mol
Monoisotopic Mass:
383.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Properties