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Isophthalamide

CAS No.:
1740-57-4
Catalog Number:
AG001ZE6
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$13
- +
5g
96%
In Stock USA
United States
$32
- +
25g
96%
In Stock USA
United States
$85
- +
100g
96%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG001ZE6
Chemical Name:
Isophthalamide
CAS Number:
1740-57-4
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD00014801
IUPAC Name:
benzene-1,3-dicarboxamide
InChI:
InChI=1S/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)
InChI Key:
QZUPTXGVPYNUIT-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc(c1)C(=O)N
EC Number:
217-104-9
UNII:
ZP57YML58I
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
Anion complexation and transport by isophthalamide and dipicolinamide derivatives: DNA plasmid transformation in E. coli. Journal of the American Chemical Society 20120822
New H-bonding patterns in biphenyl-based synthetic lectins; pyrrolediamine bridges enhance glucose-selectivity. Organic & biomolecular chemistry 20120814
Ion-pair recognition by a heteroditopic triazole-containing receptor. Chemistry (Weinheim an der Bergstrasse, Germany) 20120514
Binding of group 15 and group 16 oxides by a concave host containing an isophthalamide unit. Beilstein journal of organic chemistry 20120101
N,N'-Bis(2,5-dichloro-phen-yl)isophthalamide. Acta crystallographica. Section E, Structure reports online 20110901
From anion receptors to transporters. Accounts of chemical research 20110315
Macrocycle breathing in [2]rotaxanes with tetralactam macrocycles. The Journal of organic chemistry 20110121
Protein surface recognition using geometrically pure Ru(II) tris(bipyridine) derivatives. Chemical communications (Cambridge, England) 20110107
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Design and synthesis of 1,4-dihydropyridine derivatives as BACE-1 inhibitors. European journal of medicinal chemistry 20100601
Anion-assisted complexation of paraquat by cryptands based on bis(m-phenylene)-[32]crown-10. Chemistry (Weinheim an der Bergstrasse, Germany) 20100525
Organic nanotubes assembled from isophthalamides and their application as templates to fabricate Pt nanotubes. Chemical communications (Cambridge, England) 20090728
Anion recognition by a macrobicycle based on a tetraoxadiaza macrocycle and an isophthalamide head unit. The Journal of organic chemistry 20090703
Interlocked host anion recognition by an indolocarbazole-containing [2]rotaxane. Journal of the American Chemical Society 20090408
Predicting efficient antenna ligands for Tb(III) emission. Inorganic chemistry 20090119
Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor. Bioorganic & medicinal chemistry letters 20080101
Self-assembly of fluorescent inclusion complexes in competitive media including the interior of living cells. Journal of the American Chemical Society 20071205
Potent and selective isophthalamide S2 hydroxyethylamine inhibitors of BACE1. Bioorganic & medicinal chemistry letters 20070615
Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands. Journal of medicinal chemistry 20070517
Conformational control of HCl co-transporter: imidazole functionalised isophthalamide vs. 2,6-dicarboxamidopyridine. Chemical communications (Cambridge, England) 20070507
Strong stacking between FH--N hydrogen-bonded foldamers and fullerenes: formation of supramolecular nano networks. Chemistry (Weinheim an der Bergstrasse, Germany) 20070101
Frequency analysis of amide-linked rotaxane mimetics. The journal of physical chemistry. A 20061130
Anion binding versus intramolecular hydrogen bonding in neutral macrocyclic amides. Chemistry (Weinheim an der Bergstrasse, Germany) 20061010
Design, synthesis, and evaluation of Leu*Ala hydroxyethylene-based non-peptide beta-secretase (BACE) inhibitors. Bioorganic & medicinal chemistry 20060701
Structural and molecular recognition studies with acyclic anion receptors. Accounts of chemical research 20060701
Anion-templated assembly of [2]rotaxanes. Organic & biomolecular chemistry 20060421
Modulation of cell membrane disruption by pH-responsive pseudo-peptides through grafting with hydrophilic side chains. Journal of controlled release : official journal of the Controlled Release Society 20051102
'Twisted' isophthalamide analogues. Chemical communications (Cambridge, England) 20050214
Molecular dynamics study of 2rotaxanes: influence of solvation and cation on co-conformation. The Journal of organic chemistry 20030613
Properties