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729575-86-4,MFCD03969992
Catalog No.:AA019I08

729575-86-4 | 3-[1-butyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl]propanoic acid

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:
AA019I08
Chemical Name:
3-[1-butyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl]propanoic acid
CAS Number:
729575-86-4
Molecular Formula:
C18H25N3O5S
Molecular Weight:
395.4732
MDL Number:
MFCD03969992
SMILES:
CCCCn1c(CCC(=O)O)nc2c1ccc(c2)S(=O)(=O)N1CCOCC1
Properties
Computed Properties
 
Complexity:
603  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

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:729575-86-4 Molecular Formula|729575-86-4 MDL|729575-86-4 SMILES|729575-86-4 3-[1-butyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl]propanoic acid
Catalog No.: AA019I08
729575-86-4,MFCD03969992
729575-86-4 | 3-[1-butyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl]propanoic acid
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: AA019I08
Chemical Name: 3-[1-butyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl]propanoic acid
CAS Number: 729575-86-4
Molecular Formula: C18H25N3O5S
Molecular Weight: 395.4732
MDL Number: MFCD03969992
SMILES: CCCCn1c(CCC(=O)O)nc2c1ccc(c2)S(=O)(=O)N1CCOCC1
Properties
Complexity: 603  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 27  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
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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