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Yya-021

CAS No.:
144217-65-2
Catalog Number:
AG00ABTK
Molecular Formula:
C18H27N3O2
Molecular Weight:
317.4259
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
99%
1 week
United States
$161
- +
10mg
99%
1 week
United States
$182
- +
25mg
99%
1 week
United States
$321
- +
50mg
99%
1 week
United States
$473
- +
100mg
99%
1 week
United States
$529
- +
Product Description
Catalog Number:
AG00ABTK
Chemical Name:
Yya-021
CAS Number:
144217-65-2
Molecular Formula:
C18H27N3O2
Molecular Weight:
317.4259
MDL Number:
MFCD00738763
IUPAC Name:
N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
InChI:
InChI=1S/C18H27N3O2/c1-12-6-8-13(9-7-12)19-15(22)16(23)20-14-10-17(2,3)21-18(4,5)11-14/h6-9,14,21H,10-11H2,1-5H3,(H,19,22)(H,20,23)
InChI Key:
AYAGJQPDCPRMNG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=O)C(=O)NC1CC(C)(C)NC(C1)(C)C
Properties
Complexity:
435  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.21g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
317.433g/mol
Monoisotopic Mass:
317.21g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
CD4 mimics as HIV entry inhibitors: lead optimization studies of the aromatic substituents. Bioorganic & medicinal chemistry 20130501
Small molecular CD4 mimics as HIV entry inhibitors. Bioorganic & medicinal chemistry 20111115
CD4 mimics targeting the HIV entry mechanism and their hybrid molecules with a CXCR4 antagonist. Bioorganic & medicinal chemistry letters 20101001
Properties