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61258-72-8,MFCD00047216
Catalog No.:AA00E9UE

61258-72-8 | 4-Chloro-7-methyl-1h-indole-2,3-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$139.00   $97.00
- +
1g
95%
in stock  
$329.00 $230.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00E9UE
Chemical Name:
4-Chloro-7-methyl-1h-indole-2,3-dione
CAS Number:
61258-72-8
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD00047216
SMILES:
O=C1Nc2c(C1=O)c(Cl)ccc2C
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
266  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.7  

Downstream Synthesis Route
(E)-N-(5-chloro-2-methylphenyl)-2-(hydroxyimino)acetamide 
  61258-72-8 

[1]CurrentPatentAssignee:SumitomoPharma(in:SumitomoChemical);SumitomoChemical(w/oDongwooFine-Chem);SUMITOMOCHEMICALCOMPANYLIMITED;PGIDRUGDISCOVERYLLC-WO2018/23070,2018,A1Locationinpatent:Paragraph0153

[2]Sandmeyer[HelveticaChimicaActa,1919,vol.2,p.239]

[1]Popp[JournalofHeterocyclicChemistry,1982,vol.19,#3,p.589-592]

[1]Popp[JournalofHeterocyclicChemistry,1982,vol.19,#3,p.589-592]

563-80-4    61258-72-8   
4-Chloro-3-hydroxy-7-methyl-3-(3-methyl-2-oxo-butyl)-1,3-dihydro-indol-2-one 

[1]Popp;Pajouhesh[JournalofPharmaceuticalSciences,1982,vol.71,#9,p.1052-1054]

Literature

Title: Modulation of GSK-3β activity in Venezuelan equine encephalitis virus infection.

Journal: PloS one 20120101

Title: Selective inhibition of carboxylesterases by isatins, indole-2,3-diones.

Journal: Journal of medicinal chemistry 20070419

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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SDS
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Tags:61258-72-8 Molecular Formula|61258-72-8 MDL|61258-72-8 SMILES|61258-72-8 4-Chloro-7-methyl-1h-indole-2,3-dione
Catalog No.: AA00E9UE
61258-72-8,MFCD00047216
61258-72-8 | 4-Chloro-7-methyl-1h-indole-2,3-dione
Pack Size： 250mg
Purity： 95%
in stock
$139.00 $97.00
Pack Size： 1g
Purity： 95%
in stock
$329.00 $230.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00E9UE
Chemical Name: 4-Chloro-7-methyl-1h-indole-2,3-dione
CAS Number: 61258-72-8
Molecular Formula: C9H6ClNO2
Molecular Weight: 195.6024
MDL Number: MFCD00047216
SMILES: O=C1Nc2c(C1=O)c(Cl)ccc2C
Properties
Form: Solid  
Storage: Keep in dry area;2-8℃;  
Complexity: 266  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
Downstream Synthesis Route
(E)-N-(5-chloro-2-methylphenyl)-2-(hydroxyimino)acetamide 
  61258-72-8 

[1]CurrentPatentAssignee:SumitomoPharma(in:SumitomoChemical);SumitomoChemical(w/oDongwooFine-Chem);SUMITOMOCHEMICALCOMPANYLIMITED;PGIDRUGDISCOVERYLLC-WO2018/23070,2018,A1Locationinpatent:Paragraph0153

[2]Sandmeyer[HelveticaChimicaActa,1919,vol.2,p.239]

1122-54-9    61258-72-8    83393-59-3 

[1]Popp[JournalofHeterocyclicChemistry,1982,vol.19,#3,p.589-592]

1122-62-9    61258-72-8    83393-54-8 

[1]Popp[JournalofHeterocyclicChemistry,1982,vol.19,#3,p.589-592]

563-80-4    61258-72-8   
4-Chloro-3-hydroxy-7-methyl-3-(3-methyl-2-oxo-butyl)-1,3-dihydro-indol-2-one 

[1]Popp;Pajouhesh[JournalofPharmaceuticalSciences,1982,vol.71,#9,p.1052-1054]

Literature fold

Title: Modulation of GSK-3β activity in Venezuelan equine encephalitis virus infection.

Journal: PloS one20120101

Title: Selective inhibition of carboxylesterases by isatins, indole-2,3-diones.

Journal: Journal of medicinal chemistry20070419

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 Cytology20060501

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