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Home Aminos 3,4-Diaminocyclobut-3-ene-1,2-dione

3,4-Diaminocyclobut-3-ene-1,2-dione

CAS No.:
5231-89-0
Catalog Number:
AG00D8Y4
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$232
- +
5g
95%
In Stock USA
United States
$657
- +
25g
95%
In Stock USA
United States
$2254
- +
Product Description
Catalog Number:
AG00D8Y4
Chemical Name:
3,4-Diaminocyclobut-3-ene-1,2-dione
CAS Number:
5231-89-0
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
MDL Number:
MFCD00205212
IUPAC Name:
3,4-diaminocyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C4H4N2O2/c5-1-2(6)4(8)3(1)7/h5-6H2
InChI Key:
WUACDRFRFTWMHE-UHFFFAOYSA-N
SMILES:
NC1=C(N)C(=O)C1=O
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.027g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
112.088g/mol
Monoisotopic Mass:
112.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Literature
Title Journal
Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation. European journal of medicinal chemistry 20161129
Discovery of 3,4-diaminocyclobut-3-ene-1,2-dione-based CXCR2 receptor antagonists for the treatment of inflammatory disorders. Current topics in medicinal chemistry 20100101
Synthesis and structure-activity relationships of heteroaryl substituted-3,4-diamino-3-cyclobut-3-ene-1,2-dione CXCR2/CXCR1 receptor antagonists. Bioorganic & medicinal chemistry letters 20080215
Squaric acid derivatives as VLA-4 integrin antagonists. Bioorganic & medicinal chemistry letters 20020408
Properties