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101667-97-4,MFCD31714809
Catalog No.:AA000519

101667-97-4 | 5-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid

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Purity
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Price(USD)
Quantity
  
250mg
95%
in stock  
$162.00   $113.00
- +
1g
95%
in stock  
$172.00   $120.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000519
Chemical Name:
5-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
CAS Number:
101667-97-4
Molecular Formula:
C8H6N2O3S
Molecular Weight:
210.2098
MDL Number:
MFCD31714809
SMILES:
OC(=O)c1sc2c(c1C)c(=O)nc[nH]2
NSC Number:
723454
Properties
Computed Properties
 
Complexity:
318  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
0.9  

Downstream Synthesis Route

[1]ChemistryofHeterocyclicCompounds,1985,vol.21,p.767-770    KhimiyaGeterotsiklicheskikhSoedinenii,1985,p.925-928

2987-49-7    101667-97-4   
5-methyl-N-(2-(methylsulfonyl)phenyl)-4-oxo-3,4-dihydrothieno2,3-dpyrimidine-6-carboxamide 

[1]JournalofMedicinalChemistry,2016,vol.59,p.2452-2467

Literature

Title: Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.

Journal: Journal of medicinal chemistry 20160324

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:101667-97-4 Molecular Formula|101667-97-4 MDL|101667-97-4 SMILES|101667-97-4 5-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid