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307510-92-5,MFCD01164609
Catalog No.:AA003120

307510-92-5 | 4-[4-Oxo-2-thioxo-3-(3-trifluoromethyl-phenyl)-thiazolidin-(5z)-ylidenemethyl]-benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$20.00   $14.00
- +
5mg
98%
in stock  
$26.00   $19.00
- +
10mg
98%
in stock  
$39.00   $27.00
- +
25mg
98%
in stock  
$65.00   $46.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003120
Chemical Name:
4-[4-Oxo-2-thioxo-3-(3-trifluoromethyl-phenyl)-thiazolidin-(5z)-ylidenemethyl]-benzoic acid
CAS Number:
307510-92-5
Molecular Formula:
C18H10F3NO3S2
Molecular Weight:
409.4021
MDL Number:
MFCD01164609
SMILES:
S=C1SC(=Cc2ccc(cc2)C(=O)O)C(=O)N1c1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
657  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.9  

Upstream Synthesis Route

[1]BioorganicandMedicinalChemistry,2008,vol.16,#17,p.8187-8195

[2]Patent:US2011/105565,2011,A1,.Locationinpatent:Page/Pagecolumn28

[1]Patent:US2011/105565,2011,A1,

[1]Patent:US2011/105565,2011,A1,

Literature

Title: Ma T, et al. Thiazolidinone CFTR inhibitor identified by high-throughput screening blocks cholera toxin-induced intestinal fluid secretion. J Clin Invest. 2002 Dec;110(11):1651-8.

Title: Taddei A, et al. Altered channel gating mechanism for CFTR inhibition by a high-affinity thiazolidinone blocker. FEBS Lett. 2004 Jan 30;558(1-3):52-6.

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SDS
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Tags:307510-92-5 Molecular Formula|307510-92-5 MDL|307510-92-5 SMILES|307510-92-5 4-[4-Oxo-2-thioxo-3-(3-trifluoromethyl-phenyl)-thiazolidin-(5z)-ylidenemethyl]-benzoic acid
Catalog No.: AA003120
307510-92-5,MFCD01164609
307510-92-5 | 4-[4-Oxo-2-thioxo-3-(3-trifluoromethyl-phenyl)-thiazolidin-(5z)-ylidenemethyl]-benzoic acid
Pack Size： 1mg
Purity： 98%
in stock
$20.00 $14.00
Pack Size： 5mg
Purity： 98%
in stock
$26.00 $19.00
Pack Size： 10mg
Purity： 98%
in stock
$39.00 $27.00
Pack Size： 25mg
Purity： 98%
in stock
$65.00 $46.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003120
Chemical Name: 4-[4-Oxo-2-thioxo-3-(3-trifluoromethyl-phenyl)-thiazolidin-(5z)-ylidenemethyl]-benzoic acid
CAS Number: 307510-92-5
Molecular Formula: C18H10F3NO3S2
Molecular Weight: 409.4021
MDL Number: MFCD01164609
SMILES: S=C1SC(=Cc2ccc(cc2)C(=O)O)C(=O)N1c1cccc(c1)C(F)(F)F
Properties
Complexity: 657  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 27  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.9  
Upstream Synthesis Route
315-08-2    619-66-9    307510-92-5 

[1]BioorganicandMedicinalChemistry,2008,vol.16,#17,p.8187-8195

[2]Patent:US2011/105565,2011,A1,.Locationinpatent:Page/Pagecolumn28

98-16-8    307510-92-5 

[1]Patent:US2011/105565,2011,A1,

1840-19-3    307510-92-5 

[1]Patent:US2011/105565,2011,A1,

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