837-12-7,MFCD00595522
Catalog No.:AA008IF1

837-12-7 | 1-(4-Bromophenylsulfonyl)-4-methylpiperazine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$62.00   $44.00
- +
5g
98%
in stock  
$186.00   $130.00
- +
25g
98%
in stock  
$631.00   $442.00
- +
100g
98%
in stock  
$2,045.00 $1,432.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA008IF1
Chemical Name:
1-(4-Bromophenylsulfonyl)-4-methylpiperazine
CAS Number:
837-12-7
Molecular Formula:
C11H15BrN2O2S
Molecular Weight:
319.2180
MDL Number:
MFCD00595522
SMILES:
CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br
Properties
Computed Properties
 
Complexity:
339  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Downstream Synthesis Route
867333-35-5    837-12-7   
7-(2,6-dimethyl-phenyl)-5-methyl-benzo1,2,4triazin-3-yl-4-(4-methyl-piperazine-1-sulfonyl)-phenyl-amine 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.5546-5550

[1]Patent:WO2011/86531,2011,A2.Locationinpatent:Page/Pagecolumn58-59

[2]Patent:WO2004/55006,2004,A1.Locationinpatent:Page29

[3]Patent:WO2004/55009,2004,A1.Locationinpatent:Page33-34

[4]JournalofMedicinalChemistry,2012,vol.55,p.9107-9119,13

[1]Patent:WO2004/52880,2004,A1.Locationinpatent:Page40

[1]Patent:WO2012/130299,2012,A1.Locationinpatent:Page/Pagecolumn120

[2]JournalofMedicinalChemistry,2013,vol.56,p.3820-3832

[3]JournalofMedicinalChemistry,2015,vol.58,p.5522-5537

[4]BiochemicalPharmacology,2019,vol.164,p.349-367

[5]JournalofHeterocyclicChemistry,2019,vol.56,p.1260-1274

[6]Patent:WO2005/30770,2005,A1.Locationinpatent:Page/Pagecolumn21

[7]JournalofMedicinalChemistry,2022,vol.65,p.1265-1282

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:837-12-7 Molecular Formula|837-12-7 MDL|837-12-7 SMILES|837-12-7 1-(4-Bromophenylsulfonyl)-4-methylpiperazine
Catalog No.: AA008IF1
837-12-7,MFCD00595522
837-12-7 | 1-(4-Bromophenylsulfonyl)-4-methylpiperazine
Pack Size: 1g
Purity: 98%
in stock
$62.00 $44.00
Pack Size: 5g
Purity: 98%
in stock
$186.00 $130.00
Pack Size: 25g
Purity: 98%
in stock
$631.00 $442.00
Pack Size: 100g
Purity: 98%
in stock
$2,045.00 $1,432.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA008IF1
Chemical Name: 1-(4-Bromophenylsulfonyl)-4-methylpiperazine
CAS Number: 837-12-7
Molecular Formula: C11H15BrN2O2S
Molecular Weight: 319.2180
MDL Number: MFCD00595522
SMILES: CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br
Properties
Complexity: 339  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Downstream Synthesis Route
867333-35-5    837-12-7   
7-(2,6-dimethyl-phenyl)-5-methyl-benzo1,2,4triazin-3-yl-4-(4-methyl-piperazine-1-sulfonyl)-phenyl-amine 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.5546-5550

837-12-7    486422-11-1 

[1]Patent:WO2011/86531,2011,A2.Locationinpatent:Page/Pagecolumn58-59

[2]Patent:WO2004/55006,2004,A1.Locationinpatent:Page29

[3]Patent:WO2004/55009,2004,A1.Locationinpatent:Page33-34

[4]JournalofMedicinalChemistry,2012,vol.55,p.9107-9119,13

712268-41-2    837-12-7    712268-49-0 

[1]Patent:WO2004/52880,2004,A1.Locationinpatent:Page40

837-12-7    73183-34-3    914610-39-2 

[1]Patent:WO2012/130299,2012,A1.Locationinpatent:Page/Pagecolumn120

[2]JournalofMedicinalChemistry,2013,vol.56,p.3820-3832

[3]JournalofMedicinalChemistry,2015,vol.58,p.5522-5537

[4]BiochemicalPharmacology,2019,vol.164,p.349-367

[5]JournalofHeterocyclicChemistry,2019,vol.56,p.1260-1274

[6]Patent:WO2005/30770,2005,A1.Locationinpatent:Page/Pagecolumn21

[7]JournalofMedicinalChemistry,2022,vol.65,p.1265-1282

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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