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18474-59-4,MFCD02664477
Catalog No.:AA0074UW

18474-59-4 | 6-Methyl-1H-indole-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$24.00   $17.00
- +
250mg
95%
in stock  
$45.00   $32.00
- +
1g
98%
in stock  
$62.00   $43.00
- +
25g
98%
in stock  
$1,341.00   $939.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0074UW
Chemical Name:
6-Methyl-1H-indole-2-carboxylic acid
CAS Number:
18474-59-4
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD02664477
SMILES:
Cc1ccc2c(c1)[nH]c(c2)C(=O)O
Properties
Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2.7  

Upstream Synthesis Route

[1]JournalofMedicinalChemistry,2005,vol.48,#14,p.4511-4525

[1]GazzettaChimicaItaliana,1957,vol.87,p.949,953,958

[2]ChemischeBerichte,1897,vol.30,p.1040

[3]ChemischeBerichte,1908,vol.41,p.3811

[4]JournaloftheAmericanChemicalSociety,1948,vol.70,p.3787

[1]JournaloftheAmericanChemicalSociety,1948,vol.70,p.3787

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2005,vol.48,p.4511-4525

[1]JournalofMedicinalChemistry,2005,vol.48,p.4511-4525

[1]Nuth,Manunya;Guan,Hancheng;Zhukovskaya,Natalia;Saw,YihLing;Ricciardi,RobertP.[JournalofMedicinalChemistry,2013,vol.56,#8,p.3235-3246]

[1]Nuth,Manunya;Guan,Hancheng;Zhukovskaya,Natalia;Saw,YihLing;Ricciardi,RobertP.[JournalofMedicinalChemistry,2013,vol.56,#8,p.3235-3246]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Structure-guided design of alpha-amino acid-derived Pin1 inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20100115

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SDS
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