sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Azd3514

Azd3514

CAS No.:
1240299-33-5
Catalog Number:
AG009C97
Molecular Formula:
C25H32F3N7O2
Molecular Weight:
519.5625
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$190
- +
10mg
98%
1 week
United States
$290
- +
50mg
98%
1 week
United States
$723
- +
100mg
98%
1 week
United States
$1140
- +
Product Description
Catalog Number:
AG009C97
Chemical Name:
Azd3514
CAS Number:
1240299-33-5
Molecular Formula:
C25H32F3N7O2
Molecular Weight:
519.5625
MDL Number:
MFCD25976791
IUPAC Name:
1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanone
InChI:
InChI=1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3
InChI Key:
JMEYDSHPKCSIJC-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)CCOc1ccc(cc1)C1CCN(CC1)C1=Nn2c(CC1)nnc2C(F)(F)F
UNII:
127DSS8X7J
Properties
Complexity:
805  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
519.257g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
519.573g/mol
Monoisotopic Mass:
519.257g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
The value of integrating pre-clinical data to predict nausea and vomiting risk in humans as illustrated by AZD3514, a novel androgen receptor modulator. Toxicology and applied pharmacology 20160401
Properties