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Pf-3274167

CAS No.:
900510-03-4
Catalog Number:
AG00GU5E
Molecular Formula:
C19H19ClFN5O3
Molecular Weight:
419.8373
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$179
- +
10mg
99%
1 week
United States
$279
- +
50mg
99%
1 week
United States
$821
- +
100mg
99%
1 week
United States
$1237
- +
Product Description
Catalog Number:
AG00GU5E
Chemical Name:
Pf-3274167
CAS Number:
900510-03-4
Molecular Formula:
C19H19ClFN5O3
Molecular Weight:
419.8373
MDL Number:
MFCD25976681
IUPAC Name:
5-[3-[3-(2-chloro-4-fluorophenoxy)azetidin-1-yl]-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
InChI:
InChI=1S/C19H19ClFN5O3/c1-27-11-17-23-24-19(26(17)13-4-6-18(28-2)22-8-13)25-9-14(10-25)29-16-5-3-12(21)7-15(16)20/h3-8,14H,9-11H2,1-2H3
InChI Key:
HNIFCPBQMKPRCX-UHFFFAOYSA-N
SMILES:
COCc1nnc(n1c1ccc(nc1)OC)N1CC(C1)Oc1ccc(cc1Cl)F
UNII:
D361S17AIF
Properties
Complexity:
532  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.116g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.841g/mol
Monoisotopic Mass:
419.116g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Oral oxytocin antagonists. Journal of medicinal chemistry 20100923
Triazole oxytocin antagonists: Identification of an aryloxyazetidine replacement for a biaryl substituent. Bioorganic & medicinal chemistry letters 20100115
Properties