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

Doravirine

CAS No.:
1338225-97-0
Catalog Number:
AG009CMC
Molecular Formula:
C17H11ClF3N5O3
Molecular Weight:
425.7491
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$147
- +
10mg
≥98%
1 week
United States
$219
- +
Product Description
Catalog Number:
AG009CMC
Chemical Name:
Doravirine
CAS Number:
1338225-97-0
Molecular Formula:
C17H11ClF3N5O3
Molecular Weight:
425.7491
MDL Number:
MFCD22417167
IUPAC Name:
3-chloro-5-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile
InChI:
InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)
InChI Key:
ZIAOVIPSKUPPQW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1)Cl)Oc1c(=O)n(ccc1C(F)(F)F)Cc1n[nH]c(=O)n1C
UNII:
913P6LK81M
Properties
Complexity:
860  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.05g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
425.752g/mol
Monoisotopic Mass:
425.05g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
In vitro characterization of MK-1439, a novel HIV-1 nonnucleoside reverse transcriptase inhibitor. Antimicrobial agents and chemotherapy 20140301
Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses. Bioorganic & medicinal chemistry letters 20140201
Properties