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1377239-83-2,MFCD28902203
Catalog No.:AA0013OZ

1377239-83-2 | PBTZ169

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
97%
in stock  
$17.00   $12.00
- +
5mg
97%
in stock  
$41.00   $29.00
- +
25mg
97%
in stock  
$103.00   $72.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0013OZ
Chemical Name:
PBTZ169
CAS Number:
1377239-83-2
Molecular Formula:
C20H23F3N4O3S
Molecular Weight:
456.4818
MDL Number:
MFCD28902203
SMILES:
[O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC1)CC1CCCCC1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
715  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.7  

Downstream Synthesis Route
1377239-83-2   
C20H25F3N4OS 

[1]AntimicrobialAgentsandChemotherapy,2015,vol.59,p.4446-4452

1377239-83-2   
2-4-(cyclohexylmethyl)piperazin-1-yl-8-(1H-pyrrol-1-yl)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one 

[1]AntimicrobialAgentsandChemotherapy,2015,vol.59,p.4446-4452

1377239-83-2   
2-4-(cyclohexylmethyl)piperazin-1-yl-8-(2,5-dimethyl-1H-pyrrol-1-yl)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one 

[1]AntimicrobialAgentsandChemotherapy,2015,vol.59,p.4446-4452

1377239-83-2   
C20H25F3N4O3S 
 
C20H25F3N4O3S 

[1]AngewandteChemie-InternationalEdition,2017,vol.56,p.2187-2191    Angew.Chem.,2017,vol.129,p.2220-2225,6

Literature

Title: Makarov V et al. Towards a new combination therapy for tuberculosis with next generation benzothiazinones.EMBO Mol Med. 2014 Mar;6(3):372-83.

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SDS
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Tags:1377239-83-2 Molecular Formula|1377239-83-2 MDL|1377239-83-2 SMILES|1377239-83-2 PBTZ169
Catalog No.: AA0013OZ
1377239-83-2,MFCD28902203
1377239-83-2 | PBTZ169
Pack Size： 1mg
Purity： 97%
in stock
$17.00 $12.00
Pack Size： 5mg
Purity： 97%
in stock
$41.00 $29.00
Pack Size： 25mg
Purity： 97%
in stock
$103.00 $72.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA0013OZ
Chemical Name: PBTZ169
CAS Number: 1377239-83-2
Molecular Formula: C20H23F3N4O3S
Molecular Weight: 456.4818
MDL Number: MFCD28902203
SMILES: [O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC1)CC1CCCCC1)C(F)(F)F
Properties
Complexity: 715  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 31  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.7  
Downstream Synthesis Route
1377239-83-2   
C20H25F3N4OS 

[1]AntimicrobialAgentsandChemotherapy,2015,vol.59,p.4446-4452

1377239-83-2   
2-4-(cyclohexylmethyl)piperazin-1-yl-8-(1H-pyrrol-1-yl)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one 

[1]AntimicrobialAgentsandChemotherapy,2015,vol.59,p.4446-4452

1377239-83-2   
2-4-(cyclohexylmethyl)piperazin-1-yl-8-(2,5-dimethyl-1H-pyrrol-1-yl)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one 

[1]AntimicrobialAgentsandChemotherapy,2015,vol.59,p.4446-4452

1377239-83-2   
C20H25F3N4O3S 
 
C20H25F3N4O3S 

[1]AngewandteChemie-InternationalEdition,2017,vol.56,p.2187-2191    Angew.Chem.,2017,vol.129,p.2220-2225,6

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