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477854-70-9,MFCD02083187
Catalog No.:AA00IVG0
477854-70-9 | 4-[(2,4-dichlorophenyl)sulfanyl]-2-phenylpyrimidine-5-carboxylic acid
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1mg
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$162.00
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10mg
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500mg
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IVG0
Chemical Name:
4-[(2,4-dichlorophenyl)sulfanyl]-2-phenylpyrimidine-5-carboxylic acid
CAS Number:
477854-70-9
Molecular Formula:
C17H10Cl2N2O2S
Molecular Weight:
377.2445
MDL Number:
MFCD02083187
IUPAC Name:
4-(2,4-dichlorophenyl)sulfanyl-2-phenylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C17H10Cl2N2O2S/c18-11-6-7-14(13(19)8-11)24-16-12(17(22)23)9-20-15(21-16)10-4-2-1-3-5-10/h1-9H,(H,22,23)
InChI Key:
OQCKAZARIUTXKW-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)Sc1nc(ncc1C(=O)O)c1ccccc1
Properties
Computed Properties
 
Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.984g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
377.239g/mol
Monoisotopic Mass:
375.984g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

Synonyms
 
MLS000331274 
4-[(2,4-dichlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid 
KS-00001RZV 
HMS2384M22 
ZINC1386417 
AKOS005078480 
11M-549S 
4-[(2,4-dichlorophenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid 
4-[(2,4-dichlorophenyl)thio]-2-phenyl-pyrimidine-5-carboxylic acid 
4-(2,4-dichlorophenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylic acid 
CID1474620 
477854-70-9 
SMR000168747 
4-(2,4-dichlorophenyl)sulfanyl-2-phenylpyrimidine-5-carboxylic acid 
4-[(2,4-dichlorophenyl)sulfanyl]-2-phenylpyrimidine-5-carboxylic acid 
AC1LT107 
CHEMBL1340114 
BDBM57374 
cid_1474620 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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