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104030-31-1,MFCD00238786
Catalog No.:AA01EM1J

104030-31-1 | (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(thiophen-2-yl)prop-2-enenitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$145.00   $102.00
- +
100mg
95%
3 weeks  
$186.00   $130.00
- +
250mg
95%
3 weeks  
$243.00   $170.00
- +
500mg
95%
3 weeks  
$350.00   $245.00
- +
1g
95%
3 weeks  
$433.00   $303.00
- +
2.5g
95%
3 weeks  
$792.00   $554.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01EM1J
Chemical Name:
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(thiophen-2-yl)prop-2-enenitrile
CAS Number:
104030-31-1
Molecular Formula:
C14H9N3S
Molecular Weight:
251.3064
MDL Number:
MFCD00238786
SMILES:
N#C/C(=C\c1cccs1)/c1nc2c([nH]1)cccc2
Properties
Computed Properties
 
Complexity:
384  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3  

Literature

Title: Time-dependent botulinum neurotoxin serotype A metalloprotease inhibitors.

Journal: Bioorganic & medicinal chemistry 20111215

Title: Benzimidazole derivatives related to 2,3-acrylonitriles, benzimidazo[1,2-a]quinolines and fluorenes: synthesis, antitumor evaluation in vitro and crystal structure determination.

Journal: European journal of medicinal chemistry 20100601

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

Title: Synthesis, X-ray crystal structures, stabilities, and in vitro cytotoxic activities of new heteroarylacrylonitriles.

Journal: Journal of medicinal chemistry 20040617

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Tags:104030-31-1 Molecular Formula|104030-31-1 MDL|104030-31-1 SMILES|104030-31-1 (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(thiophen-2-yl)prop-2-enenitrile
Catalog No.: AA01EM1J
104030-31-1,MFCD00238786
104030-31-1 | (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(thiophen-2-yl)prop-2-enenitrile
Pack Size： 50mg
Purity： 95%
3 weeks
$145.00 $102.00
Pack Size： 100mg
Purity： 95%
3 weeks
$186.00 $130.00
Pack Size： 250mg
Purity： 95%
3 weeks
$243.00 $170.00
Pack Size： 500mg
Purity： 95%
3 weeks
$350.00 $245.00
Pack Size： 1g
Purity： 95%
3 weeks
$433.00 $303.00
Pack Size： 2.5g
Purity： 95%
3 weeks
$792.00 $554.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA01EM1J
Chemical Name: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(thiophen-2-yl)prop-2-enenitrile
CAS Number: 104030-31-1
Molecular Formula: C14H9N3S
Molecular Weight: 251.3064
MDL Number: MFCD00238786
SMILES: N#C/C(=C\c1cccs1)/c1nc2c([nH]1)cccc2
Properties
Complexity: 384  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3  
Literature fold

Title: Time-dependent botulinum neurotoxin serotype A metalloprotease inhibitors.

Journal: Bioorganic & medicinal chemistry20111215

Title: Benzimidazole derivatives related to 2,3-acrylonitriles, benzimidazo[1,2-a]quinolines and fluorenes: synthesis, antitumor evaluation in vitro and crystal structure determination.

Journal: European journal of medicinal chemistry20100601

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

Title: Synthesis, X-ray crystal structures, stabilities, and in vitro cytotoxic activities of new heteroarylacrylonitriles.

Journal: Journal of medicinal chemistry20040617

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