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1007386-72-2,MFCD11501500
Catalog No.:AA0002O1
1007386-72-2 | 4H-Pyrrolo[2,3-d]thiazole-5-carboxylic acid
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250mg
97%
1 week  
$843.00   $590.00
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1g
97%
1 week  
$1,629.00   $1,140.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0002O1
Chemical Name:
4H-Pyrrolo[2,3-d]thiazole-5-carboxylic acid
CAS Number:
1007386-72-2
Molecular Formula:
C6H4N2O2S
Molecular Weight:
168.1732
MDL Number:
MFCD11501500
IUPAC Name:
4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
InChI:
InChI=1S/C6H4N2O2S/c9-6(10)3-1-4-5(8-3)7-2-11-4/h1-2,8H,(H,9,10)
InChI Key:
LUMJVOCXIGRWEH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)ncs2
Properties
Computed Properties
 
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.999g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
168.17g/mol
Monoisotopic Mass:
167.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
4H-pyrrolo[2,3-d]thiazole-5-carboxylic acid 
1007386-72-2 
ZINC40973756 
AKOS006323120 
AS-38259 
SC-50040 
AB0076936 
AX8266918 
RT-017052 
CS-0050840 
A-2441 
EN300-103993 
CHEMBL496304 
Z2065904036 
4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid 
SCHEMBL1244760 
CTK8E4989 
DTXSID80647432 
BDBM50260726 
FCH890603 
MFCD11501500 
Literature

Title: The discovery of fused pyrrole carboxylic acids as novel, potent D-amino acid oxidase (DAO) inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20080601

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