Home Other Building Blocks Gnf 5837

Gnf 5837

CAS No.:
1033769-28-6
Catalog Number:
AG008TGK
Molecular Formula:
C28H21F4N5O2
Molecular Weight:
535.4923
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$119
- +
5mg
99%
1 week
United States
$126
- +
10mg
99%
1 week
United States
$182
- +
25mg
99%
1 week
United States
$265
- +
50mg
99%
1 week
United States
$390
- +
100mg
99%
1 week
United States
$612
- +
Product Description
Catalog Number:
AG008TGK
Chemical Name:
Gnf 5837
CAS Number:
1033769-28-6
Molecular Formula:
C28H21F4N5O2
Molecular Weight:
535.4923
MDL Number:
MFCD24386809
IUPAC Name:
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-methyl-3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
InChI:
InChI=1S/C28H21F4N5O2/c1-15-4-6-19(35-27(39)37-25-11-16(28(30,31)32)5-9-22(25)29)13-23(15)34-18-7-8-20-21(12-17-3-2-10-33-17)26(38)36-24(20)14-18/h2-14,33-34H,1H3,(H,36,38)(H2,35,37,39)/b21-12-
InChI Key:
YYDUWLSETXNJJT-MTJSOVHGSA-N
SMILES:
O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(c(c1)Nc1ccc2c(c1)NC(=O)/C/2=C\c1ccc[nH]1)C
Properties
Complexity:
930  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
535.163g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
535.503g/mol
Monoisotopic Mass:
535.163g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Literature
Title Journal
Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models. ACS medicinal chemistry letters 20120209
Properties