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108354-78-5,MFCD00130099
Catalog No.:AA008RWC

108354-78-5 | 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$6.00   $4.00
- +
1g
97%
in stock  
$11.00   $8.00
- +
5g
97%
in stock  
$29.00   $20.00
- +
10g
97%
in stock  
$35.00   $25.00
- +
25g
97%
in stock  
$43.00   $31.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA008RWC
Chemical Name:
2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester
CAS Number:
108354-78-5
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD00130099
SMILES:
COC(=O)c1c(N)sc2c1CCCC2
Properties
Computed Properties
 
Complexity:
234  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.9  

Literature

Title: Novel small molecule inhibitors of MDR Mycobacterium tuberculosis by NMR fragment screening of antigen 85C.

Journal: Journal of medicinal chemistry 20101209

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:108354-78-5 Molecular Formula|108354-78-5 MDL|108354-78-5 SMILES|108354-78-5 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester
Catalog No.: AA008RWC
108354-78-5,MFCD00130099
108354-78-5 | 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester
Pack Size： 250mg
Purity： 97%
in stock
$6.00 $4.00
Pack Size： 1g
Purity： 97%
in stock
$11.00 $8.00
Pack Size： 5g
Purity： 97%
in stock
$29.00 $20.00
Pack Size： 10g
Purity： 97%
in stock
$35.00 $25.00
Pack Size： 25g
Purity： 97%
in stock
$43.00 $31.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA008RWC
Chemical Name: 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester
CAS Number: 108354-78-5
Molecular Formula: C10H13NO2S
Molecular Weight: 211.2807
MDL Number: MFCD00130099
SMILES: COC(=O)c1c(N)sc2c1CCCC2
Properties
Complexity: 234  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.9  
Literature fold

Title: Novel small molecule inhibitors of MDR Mycobacterium tuberculosis by NMR fragment screening of antigen 85C.

Journal: Journal of medicinal chemistry20101209

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

Journal: Bioorganic & medicinal chemistry letters20101101

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