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195983-63-2,MFCD06245546
Catalog No.:AA00384B

195983-63-2 | 4-Boc-1,2,3,5-tetrahydrobenzo[e][1,4]diazepine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$208.00   $145.00
- +
1g
97%
in stock  
$570.00   $399.00
- +
5g
97%
in stock  
$1,636.00   $1,145.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00384B
Chemical Name:
4-Boc-1,2,3,5-tetrahydrobenzo[e][1,4]diazepine
CAS Number:
195983-63-2
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD06245546
SMILES:
O=C(N1CCNc2c(C1)cccc2)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
299  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Downstream Synthesis Route

[1]Patent:US2003/162964,2003,A1

[1]Koolman,HannesF.;Braje,WilfriedM.;Haupt,Andreas[Synlett,2016,vol.27,#18,p.2561-2566]

[2]CurrentPatentAssignee:ABBVIEINC-US2014/80813,2014,A1Locationinpatent:Paragraph0330;0331

455-13-0    195983-63-2   
C21H23F3N2O2 

[1]CurrentPatentAssignee:PURDUEPHARMAL.P.-WO2015/112801,2015,A1Locationinpatent:Page/Pagecolumn72

[2]CurrentPatentAssignee:PURDUEPHARMAL.P.-US2017/8882,2017,A1Locationinpatent:Paragraph0281;0283

[3]Lynch,StephenM.;Tafesse,Laykea;Carlin,Kevin;Ghatak,Parijat;Shao,Bin;Abdelhamid,Haissam;Kyle,DonaldJ.[BioorganicandMedicinalChemistryLetters,2015,vol.25,#1,p.48-52]

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:195983-63-2 Molecular Formula|195983-63-2 MDL|195983-63-2 SMILES|195983-63-2 4-Boc-1,2,3,5-tetrahydrobenzo[e][1,4]diazepine
Catalog No.: AA00384B
195983-63-2,MFCD06245546
195983-63-2 | 4-Boc-1,2,3,5-tetrahydrobenzo[e][1,4]diazepine
Pack Size： 250mg
Purity： 97%
in stock
$208.00 $145.00
Pack Size： 1g
Purity： 97%
in stock
$570.00 $399.00
Pack Size： 5g
Purity： 97%
in stock
$1,636.00 $1,145.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00384B
Chemical Name: 4-Boc-1,2,3,5-tetrahydrobenzo[e][1,4]diazepine
CAS Number: 195983-63-2
Molecular Formula: C14H20N2O2
Molecular Weight: 248.3208
MDL Number: MFCD06245546
SMILES: O=C(N1CCNc2c(C1)cccc2)OC(C)(C)C
Properties
Complexity: 299  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Downstream Synthesis Route
40258-78-4    195983-63-2    352356-42-4 

[1]Patent:US2003/162964,2003,A1

3350-78-5    195983-63-2    1579957-92-8 

[1]Koolman,HannesF.;Braje,WilfriedM.;Haupt,Andreas[Synlett,2016,vol.27,#18,p.2561-2566]

[2]CurrentPatentAssignee:ABBVIEINC-US2014/80813,2014,A1Locationinpatent:Paragraph0330;0331

455-13-0    195983-63-2   
C21H23F3N2O2 

[1]CurrentPatentAssignee:PURDUEPHARMAL.P.-WO2015/112801,2015,A1Locationinpatent:Page/Pagecolumn72

[2]CurrentPatentAssignee:PURDUEPHARMAL.P.-US2017/8882,2017,A1Locationinpatent:Paragraph0281;0283

[3]Lynch,StephenM.;Tafesse,Laykea;Carlin,Kevin;Ghatak,Parijat;Shao,Bin;Abdelhamid,Haissam;Kyle,DonaldJ.[BioorganicandMedicinalChemistryLetters,2015,vol.25,#1,p.48-52]

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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