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554407-97-5,MFCD03973224
Catalog No.:AA00I9TD

554407-97-5 | 2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$133.00   $93.00
- +
100mg
95%
3 weeks  
$175.00   $123.00
- +
250mg
95%
3 weeks  
$222.00   $155.00
- +
500mg
95%
3 weeks  
$370.00   $259.00
- +
1g
95%
3 weeks  
$515.00   $360.00
- +
2.5g
95%
3 weeks  
$956.00   $669.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I9TD
Chemical Name:
2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}benzoic acid
CAS Number:
554407-97-5
Molecular Formula:
C16H12N2O2S2
Molecular Weight:
328.4087
MDL Number:
MFCD03973224
SMILES:
OC(=O)c1ccccc1Sc1ncnc2c1c1CCCc1s2
Properties
Computed Properties
 
Complexity:
436  
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:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.2  

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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Tags:554407-97-5 Molecular Formula|554407-97-5 MDL|554407-97-5 SMILES|554407-97-5 2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}benzoic acid
Catalog No.: AA00I9TD
554407-97-5,MFCD03973224
554407-97-5 | 2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}benzoic acid
Pack Size： 50mg
Purity： 95%
3 weeks
$133.00 $93.00
Pack Size： 100mg
Purity： 95%
3 weeks
$175.00 $123.00
Pack Size： 250mg
Purity： 95%
3 weeks
$222.00 $155.00
Pack Size： 500mg
Purity： 95%
3 weeks
$370.00 $259.00
Pack Size： 1g
Purity： 95%
3 weeks
$515.00 $360.00
Pack Size： 2.5g
Purity： 95%
3 weeks
$956.00 $669.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I9TD
Chemical Name: 2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}benzoic acid
CAS Number: 554407-97-5
Molecular Formula: C16H12N2O2S2
Molecular Weight: 328.4087
MDL Number: MFCD03973224
SMILES: OC(=O)c1ccccc1Sc1ncnc2c1c1CCCc1s2
Properties
Complexity: 436  
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: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.2  
Literature fold

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

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