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NBD-556

CAS No.:
333353-44-9
Catalog Number:
AG0035ZQ
Molecular Formula:
C17H24ClN3O2
Molecular Weight:
337.8444
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
99%
1 week
United States
$154
- +
10mg
99%
1 week
United States
$223
- +
25mg
≥98%
1 week
United States
$404
- +
100mg
>98.0%(HPLC)
1 week
United States
$1500
- +
Product Description
Catalog Number:
AG0035ZQ
Chemical Name:
NBD-556
CAS Number:
333353-44-9
Molecular Formula:
C17H24ClN3O2
Molecular Weight:
337.8444
MDL Number:
MFCD00469538
IUPAC Name:
N'-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
InChI:
InChI=1S/C17H24ClN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChI Key:
ZKXLQCIOURANAD-UHFFFAOYSA-N
SMILES:
O=C(C(=O)NC1CC(C)(C)NC(C1)(C)C)Nc1ccc(cc1)Cl
Properties
Complexity:
441  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.156g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
337.848g/mol
Monoisotopic Mass:
337.156g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Structure-Based Design of a Small Molecule CD4-Antagonist with Broad Spectrum Anti-HIV-1 Activity. Journal of medicinal chemistry 20150910
CD4 mimics as HIV entry inhibitors: lead optimization studies of the aromatic substituents. Bioorganic & medicinal chemistry 20130501
Design, synthesis, and antiviral activity of entry inhibitors that target the CD4-binding site of HIV-1. Journal of medicinal chemistry 20120524
Small molecular CD4 mimics as HIV entry inhibitors. Bioorganic & medicinal chemistry 20111115
Enhanced dynamics of HIV gp120 glycoprotein by small molecule binding. Biochemistry 20110517
Some binding-related drug properties are dependent on thermodynamic signature. Chemical biology & drug design 20110301
Design, synthesis and biological evaluation of small molecule inhibitors of CD4-gp120 binding based on virtual screening. Bioorganic & medicinal chemistry 20110101
CD4 mimics targeting the HIV entry mechanism and their hybrid molecules with a CXCR4 antagonist. Bioorganic & medicinal chemistry letters 20101001
Thermodynamics of binding of a low-molecular-weight CD4 mimetic to HIV-1 gp120. Biochemistry 20060912
Properties