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AMG-47a

CAS No.:
882663-88-9
Catalog Number:
AG00GU80
Molecular Formula:
C29H28F3N5O2
Molecular Weight:
535.5601
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$194
- +
10mg
≥98%
1 week
United States
$290
- +
25mg
≥98%
1 week
United States
$607
- +
50mg
≥98%
1 week
United States
$1089
- +
Product Description
Catalog Number:
AG00GU80
Chemical Name:
AMG-47a
CAS Number:
882663-88-9
Molecular Formula:
C29H28F3N5O2
Molecular Weight:
535.5601
MDL Number:
MFCD09970318
IUPAC Name:
4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
InChI:
InChI=1S/C29H28F3N5O2/c1-19-5-6-21(27(38)35-24-4-2-3-23(17-24)29(30,31)32)16-25(19)20-7-8-26-22(15-20)18-34-28(36-26)33-9-10-37-11-13-39-14-12-37/h2-8,15-18H,9-14H2,1H3,(H,35,38)(H,33,34,36)
InChI Key:
DVRSTRMZTAPMKO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1c1ccc2c(c1)cnc(n2)NCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Properties
Complexity:
795  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
535.22g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
535.571g/mol
Monoisotopic Mass:
535.22g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Discovery of aminoquinazolines as potent, orally bioavailable inhibitors of Lck: synthesis, SAR, and in vivo anti-inflammatory activity. Journal of medicinal chemistry 20060921
Effect of alkali on the structure of cell envelopes of Chlamydia psittaci elementary bodies. Journal of bacteriology 19760101
Properties