Home Other Building Blocks 1-(4-(5-(5-Amino-6-(5-(tert-butyl)-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1h-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-one

1-(4-(5-(5-Amino-6-(5-(tert-butyl)-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1h-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-one

CAS No.:
1620576-64-8
Catalog Number:
AG001SOI
Molecular Formula:
C22H31N9O3
Molecular Weight:
469.5400
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$196
- +
10mg
98%
1 week
United States
$265
- +
25mg
98%
1 week
United States
$404
- +
50mg
98%
1 week
United States
$682
- +
100mg
98%
1 week
United States
$1098
- +
Product Description
Catalog Number:
AG001SOI
Chemical Name:
1-(4-(5-(5-Amino-6-(5-(tert-butyl)-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1h-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-one
CAS Number:
1620576-64-8
Molecular Formula:
C22H31N9O3
Molecular Weight:
469.5400
MDL Number:
MFCD28902194
IUPAC Name:
1-[4-[5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-hydroxypropan-1-one
InChI:
InChI=1S/C22H31N9O3/c1-5-31-19(26-18(29-31)13-6-9-30(10-7-13)15(33)8-11-32)14-12-24-17(23)16(25-14)20-27-28-21(34-20)22(2,3)4/h12-13,32H,5-11H2,1-4H3,(H2,23,24)
InChI Key:
ZGRDYKFVDCFJCZ-UHFFFAOYSA-N
SMILES:
OCCC(=O)N1CCC(CC1)c1nn(c(n1)c1cnc(c(n1)c1nnc(o1)C(C)(C)C)N)CC
UNII:
8B97A88D35
Properties
Complexity:
685  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.255g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
469.55g/mol
Monoisotopic Mass:
469.255g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Discovery of 1-(4-(5-(5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-one (AZD8835): A potent and selective inhibitor of PI3Kα and PI3Kδ for the treatment of cancers. Bioorganic & medicinal chemistry letters 20151115
Properties