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XL999

CAS No.:
705946-27-6
Catalog Number:
AG00FGLM
Molecular Formula:
C26H28FN5O
Molecular Weight:
445.5318
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$133
- +
5mg
99%
1 week
United States
$182
- +
10mg
99%
1 week
United States
$265
- +
25mg
99%
1 week
United States
$473
- +
50mg
99%
1 week
United States
$682
- +
100mg
99%
1 week
United States
$1098
- +
Product Description
Catalog Number:
AG00FGLM
Chemical Name:
XL999
CAS Number:
705946-27-6
Molecular Formula:
C26H28FN5O
Molecular Weight:
445.5318
MDL Number:
MFCD30533354
IUPAC Name:
(3Z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(3-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-1H-indol-2-one
InChI:
InChI=1S/C26H28FN5O/c1-3-32-11-9-19(10-12-32)30-20-7-8-22-21(14-20)24(26(33)31-22)23(25-28-15-16(2)29-25)17-5-4-6-18(27)13-17/h4-8,13-15,19,30H,3,9-12H2,1-2H3,(H,28,29)(H,31,33)/b24-23-
InChI Key:
DMQYDVBIPXAAJA-VHXPQNKSSA-N
SMILES:
CCN1CCC(CC1)Nc1ccc2c(c1)/C(=C(/c1ncc([nH]1)C)\c1cccc(c1)F)/C(=O)N2
UNII:
6I7PLF6N8L
Properties
Complexity:
736  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
445.228g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
445.542g/mol
Monoisotopic Mass:
445.228g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
The design, synthesis, and biological evaluation of potent receptor tyrosine kinase inhibitors. Bioorganic & medicinal chemistry letters 20120801
Properties