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313498-12-3,MFCD00419414
Catalog No.:AA00BZ1X

313498-12-3 | 1-Benzyl-2,3-dimethyl-1h-indole-5-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
in stock  
$106.00   $74.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BZ1X
Chemical Name:
1-Benzyl-2,3-dimethyl-1h-indole-5-carboxylic acid
CAS Number:
313498-12-3
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
MDL Number:
MFCD00419414
SMILES:
OC(=O)c1ccc2c(c1)c(C)c(n2Cc1ccccc1)C
Properties
Computed Properties
 
Complexity:
377  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.9  

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: 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:313498-12-3 Molecular Formula|313498-12-3 MDL|313498-12-3 SMILES|313498-12-3 1-Benzyl-2,3-dimethyl-1h-indole-5-carboxylic acid
Catalog No.: AA00BZ1X
313498-12-3,MFCD00419414
313498-12-3 | 1-Benzyl-2,3-dimethyl-1h-indole-5-carboxylic acid
Pack Size： 100mg
Purity：
in stock
$106.00 $74.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00BZ1X
Chemical Name: 1-Benzyl-2,3-dimethyl-1h-indole-5-carboxylic acid
CAS Number: 313498-12-3
Molecular Formula: C18H17NO2
Molecular Weight: 279.3331
MDL Number: MFCD00419414
SMILES: OC(=O)c1ccc2c(c1)c(C)c(n2Cc1ccccc1)C
Properties
Complexity: 377  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 21  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.9  
Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

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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