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853723-95-2,MFCD06655866
Catalog No.:AA019O8Y

853723-95-2 | 3-[3-Mercapto-5-(4-methoxyphenyl)-4h-1,2,4-triazol-4-yl]propanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
100%
3 weeks  
$233.00   $163.00
- +
100mg
100%
3 weeks  
$290.00   $203.00
- +
250mg
100%
3 weeks  
$368.00   $258.00
- +
500mg
100%
3 weeks  
$599.00   $419.00
- +
1g
100%
3 weeks  
$777.00   $544.00
- +
2.5g
100%
3 weeks  
$1,411.00   $988.00
- +
5g
100%
3 weeks  
$2,034.00   $1,424.00
- +
10g
100%
3 weeks  
$2,959.00   $2,072.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA019O8Y
Chemical Name:
3-[3-Mercapto-5-(4-methoxyphenyl)-4h-1,2,4-triazol-4-yl]propanoic acid
CAS Number:
853723-95-2
Molecular Formula:
C12H13N3O3S
Molecular Weight:
279.3149
MDL Number:
MFCD06655866
SMILES:
COc1ccc(cc1)c1nnc(n1CCC(=O)O)S
Properties
Computed Properties
 
Complexity:
392  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
1.1  

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
Tags:853723-95-2 Molecular Formula|853723-95-2 MDL|853723-95-2 SMILES|853723-95-2 3-[3-Mercapto-5-(4-methoxyphenyl)-4h-1,2,4-triazol-4-yl]propanoic acid