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329907-28-0,MFCD02654497
Catalog No.:AA00C6FB

329907-28-0 | 3-{[5-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}propanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$26.00   $19.00
- +
10mg
98%
in stock  
$95.00   $67.00
- +
25mg
98%
in stock  
$143.00   $100.00
- +
50mg
98%
in stock  
$199.00   $140.00
- +
100mg
98%
in stock  
$300.00   $210.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C6FB
Chemical Name:
3-{[5-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}propanoic acid
CAS Number:
329907-28-0
Molecular Formula:
C16H14N2O2S2
Molecular Weight:
330.4246
MDL Number:
MFCD02654497
SMILES:
OC(=O)CCSc1ncnc2c1c(cs2)c1ccc(cc1)C
Properties
Computed Properties
 
Complexity:
388  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.9  

Downstream Synthesis Route
4-chloro-5-(p-tolyl)thieno2,3-dpyrimidine 
  107-96-0    329907-28-0 

[1]EuropeanJournalofMedicinalChemistry,2011,vol.46,p.870-876

[1]EuropeanJournalofMedicinalChemistry,2011,vol.46,p.870-876

[1]EuropeanJournalofMedicinalChemistry,2011,vol.46,p.870-876

[1]EuropeanJournalofMedicinalChemistry,2011,vol.46,p.870-876

Literature

Title: Synthesis and biological evaluation of substituted (thieno[2,3-d]pyrimidin-4-ylthio)carboxylic acids as inhibitors of human protein kinase CK2.

Journal: European journal of medicinal chemistry 20110301

Title: Golub AG, et al. Synthesis and biological evaluation of substituted (thieno,3-dpyrimidin-4-ylthio)carboxylic acids as inhibitors of human protein kinase CK2. Eur J Med Chem. 2011 Mar;46(3):870-6.

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SDS
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Tags:329907-28-0 Molecular Formula|329907-28-0 MDL|329907-28-0 SMILES|329907-28-0 3-{[5-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}propanoic acid
Catalog No.: AA00C6FB
329907-28-0,MFCD02654497
329907-28-0 | 3-{[5-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}propanoic acid
Pack Size： 1mg
Purity： 98%
in stock
$26.00 $19.00
Pack Size： 10mg
Purity： 98%
in stock
$95.00 $67.00
Pack Size： 25mg
Purity： 98%
in stock
$143.00 $100.00
Pack Size： 50mg
Purity： 98%
in stock
$199.00 $140.00
Pack Size： 100mg
Purity： 98%
in stock
$300.00 $210.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00C6FB
Chemical Name: 3-{[5-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}propanoic acid
CAS Number: 329907-28-0
Molecular Formula: C16H14N2O2S2
Molecular Weight: 330.4246
MDL Number: MFCD02654497
SMILES: OC(=O)CCSc1ncnc2c1c(cs2)c1ccc(cc1)C
Properties
Complexity: 388  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 22  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.9  
Downstream Synthesis Route
4-chloro-5-(p-tolyl)thieno2,3-dpyrimidine 
  107-96-0    329907-28-0 

[1]EuropeanJournalofMedicinalChemistry,2011,vol.46,p.870-876

17509-21-6    329907-28-0 

[1]EuropeanJournalofMedicinalChemistry,2011,vol.46,p.870-876

15854-08-7    329907-28-0 

[1]EuropeanJournalofMedicinalChemistry,2011,vol.46,p.870-876

122-00-9    329907-28-0 

[1]EuropeanJournalofMedicinalChemistry,2011,vol.46,p.870-876

Literature fold

Title: Synthesis and biological evaluation of substituted (thieno[2,3-d]pyrimidin-4-ylthio)carboxylic acids as inhibitors of human protein kinase CK2.

Journal: European journal of medicinal chemistry20110301

Title: Golub AG, et al. Synthesis and biological evaluation of substituted (thieno,3-dpyrimidin-4-ylthio)carboxylic acids as inhibitors of human protein kinase CK2. Eur J Med Chem. 2011 Mar;46(3):870-6.

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