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31385-63-4,MFCD01416486
Catalog No.:AA007JKF

31385-63-4 | 2-(5-Bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$299.00   $209.00
- +
100mg
95%
3 weeks  
$418.00   $293.00
- +
250mg
95%
3 weeks  
$574.00   $402.00
- +
500mg
95%
3 weeks  
$915.00   $640.00
- +
1g
95%
3 weeks  
$1,154.00   $808.00
- +
2.5g
95%
3 weeks  
$2,204.00   $1,543.00
- +
5g
95%
3 weeks  
$3,234.00   $2,264.00
- +
10g
95%
3 weeks  
$4,768.00   $3,338.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007JKF
Chemical Name:
2-(5-Bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CAS Number:
31385-63-4
Molecular Formula:
C6H5BrN2O4
Molecular Weight:
249.0189
MDL Number:
MFCD01416486
SMILES:
OC(=O)Cn1cc(Br)c(=O)[nH]c1=O
Properties
Computed Properties
 
Complexity:
312  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.3  

Downstream Synthesis Route
31385-63-4    78287-27-1   
C28H23BrN4O7 

[1]EuropeanJournalofMedicinalChemistry,2017,vol.125,p.1235-1246

31385-63-4    91421-42-0   
C26H18BrN5O9 

[1]EuropeanJournalofMedicinalChemistry,2017,vol.125,p.1235-1246

31385-63-4    79098-75-2   
5-bromo-1-{2-oxo-2-4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin-1-yl-ethyl}-1H-pyrimidine-2,4-dione 

[1]Patent:US2018/50992,2018,A1.Locationinpatent:Paragraph0405

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:31385-63-4 Molecular Formula|31385-63-4 MDL|31385-63-4 SMILES|31385-63-4 2-(5-Bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
Catalog No.: AA007JKF
31385-63-4,MFCD01416486
31385-63-4 | 2-(5-Bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
Pack Size： 50mg
Purity： 95%
3 weeks
$299.00 $209.00
Pack Size： 100mg
Purity： 95%
3 weeks
$418.00 $293.00
Pack Size： 250mg
Purity： 95%
3 weeks
$574.00 $402.00
Pack Size： 500mg
Purity： 95%
3 weeks
$915.00 $640.00
Pack Size： 1g
Purity： 95%
3 weeks
$1,154.00 $808.00
Pack Size： 2.5g
Purity： 95%
3 weeks
$2,204.00 $1,543.00
Pack Size： 5g
Purity： 95%
3 weeks
$3,234.00 $2,264.00
Pack Size： 10g
Purity： 95%
3 weeks
$4,768.00 $3,338.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007JKF
Chemical Name: 2-(5-Bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CAS Number: 31385-63-4
Molecular Formula: C6H5BrN2O4
Molecular Weight: 249.0189
MDL Number: MFCD01416486
SMILES: OC(=O)Cn1cc(Br)c(=O)[nH]c1=O
Properties
Complexity: 312  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.3  
Downstream Synthesis Route
31385-63-4    78287-27-1   
C28H23BrN4O7 

[1]EuropeanJournalofMedicinalChemistry,2017,vol.125,p.1235-1246

31385-63-4    91421-42-0   
C26H18BrN5O9 

[1]EuropeanJournalofMedicinalChemistry,2017,vol.125,p.1235-1246

31385-63-4    79098-75-2   
5-bromo-1-{2-oxo-2-4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin-1-yl-ethyl}-1H-pyrimidine-2,4-dione 

[1]Patent:US2018/50992,2018,A1.Locationinpatent:Paragraph0405

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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