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568574-79-8,MFCD04608613
Catalog No.:AA019IB4

568574-79-8 | 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$124.00   $87.00
- +
100mg
95%
3 weeks  
$156.00   $109.00
- +
250mg
95%
3 weeks  
$199.00   $139.00
- +
500mg
95%
3 weeks  
$279.00   $195.00
- +
1g
95%
3 weeks  
$342.00   $239.00
- +
2.5g
95%
3 weeks  
$618.00   $433.00
- +
5g
95%
3 weeks  
$888.00   $622.00
- +
10g
95%
3 weeks  
$1,286.00   $900.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA019IB4
Chemical Name:
3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile
CAS Number:
568574-79-8
Molecular Formula:
C16H15ClN2O
Molecular Weight:
286.7561
MDL Number:
MFCD04608613
SMILES:
N#CCC(=O)c1cc(n(c1C)Cc1ccccc1Cl)C
Properties
Computed Properties
 
Complexity:
403  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.3  

Literature

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:568574-79-8 Molecular Formula|568574-79-8 MDL|568574-79-8 SMILES|568574-79-8 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile
Catalog No.: AA019IB4
568574-79-8,MFCD04608613
568574-79-8 | 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile
Pack Size： 50mg
Purity： 95%
3 weeks
$124.00 $87.00
Pack Size： 100mg
Purity： 95%
3 weeks
$156.00 $109.00
Pack Size： 250mg
Purity： 95%
3 weeks
$199.00 $139.00
Pack Size： 500mg
Purity： 95%
3 weeks
$279.00 $195.00
Pack Size： 1g
Purity： 95%
3 weeks
$342.00 $239.00
Pack Size： 2.5g
Purity： 95%
3 weeks
$618.00 $433.00
Pack Size： 5g
Purity： 95%
3 weeks
$888.00 $622.00
Pack Size： 10g
Purity： 95%
3 weeks
$1,286.00 $900.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA019IB4
Chemical Name: 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-3-oxopropanenitrile
CAS Number: 568574-79-8
Molecular Formula: C16H15ClN2O
Molecular Weight: 286.7561
MDL Number: MFCD04608613
SMILES: N#CCC(=O)c1cc(n(c1C)Cc1ccccc1Cl)C
Properties
Complexity: 403  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.3  
Literature fold

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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