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1599432-08-2,MFCD13304236
Catalog No.:AA00ABI7

1599432-08-2 | NIBR189

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$16.00   $12.00
- +
5mg
98%
in stock  
$39.00   $27.00
- +
10mg
98%
in stock  
$57.00   $40.00
- +
25mg
98%
in stock  
$96.00   $68.00
- +
100mg
95%
in stock  
$284.00   $199.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00ABI7
Chemical Name:
NIBR189
CAS Number:
1599432-08-2
Molecular Formula:
C21H21BrN2O3
Molecular Weight:
429.3070
MDL Number:
MFCD13304236
SMILES:
COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)/C=C/c1ccc(cc1)Br
Properties
Computed Properties
 
Complexity:
530  
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:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Downstream Synthesis Route
trans-4-bromocinnamicacid 
  94747-49-6    1599432-08-2 

[1]Gessier,Francois;Preuss,Inga;Yin,Hong;Rosenkilde,MetteM.;Laurent,Stephane;Endres,Ralf;Chen,YuA.;Marsilje,ThomasH.;Seuwen,Klaus;Nguyen,DeborahG.;Sailer,AndreasW.[JournalofMedicinalChemistry,2014,vol.57,#8,p.3358-3368]

Literature

Title: Identification and characterization of small molecule modulators of the Epstein-Barr virus-induced gene 2 (EBI2) receptor.

Journal: Journal of medicinal chemistry 20140424

Title: Gessier F, et al. Identification and characterization of small molecule modulators of the Epstein-Barr virus-induced gene 2 (EBI2) receptor. J Med Chem. 2014 Apr 24;57(8):3358-68.

Quotation Request
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SDS
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Tags:1599432-08-2 Molecular Formula|1599432-08-2 MDL|1599432-08-2 SMILES|1599432-08-2 NIBR189
Catalog No.: AA00ABI7
1599432-08-2,MFCD13304236
1599432-08-2 | NIBR189
Pack Size： 1mg
Purity： 98%
in stock
$16.00 $12.00
Pack Size： 5mg
Purity： 98%
in stock
$39.00 $27.00
Pack Size： 10mg
Purity： 98%
in stock
$57.00 $40.00
Pack Size： 25mg
Purity： 98%
in stock
$96.00 $68.00
Pack Size： 100mg
Purity： 95%
in stock
$284.00 $199.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00ABI7
Chemical Name: NIBR189
CAS Number: 1599432-08-2
Molecular Formula: C21H21BrN2O3
Molecular Weight: 429.3070
MDL Number: MFCD13304236
SMILES: COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)/C=C/c1ccc(cc1)Br
Properties
Complexity: 530  
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: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
trans-4-bromocinnamicacid 
  94747-49-6    1599432-08-2 

[1]Gessier,Francois;Preuss,Inga;Yin,Hong;Rosenkilde,MetteM.;Laurent,Stephane;Endres,Ralf;Chen,YuA.;Marsilje,ThomasH.;Seuwen,Klaus;Nguyen,DeborahG.;Sailer,AndreasW.[JournalofMedicinalChemistry,2014,vol.57,#8,p.3358-3368]

Literature fold

Title: Identification and characterization of small molecule modulators of the Epstein-Barr virus-induced gene 2 (EBI2) receptor.

Journal: Journal of medicinal chemistry20140424

Title: Gessier F, et al. Identification and characterization of small molecule modulators of the Epstein-Barr virus-induced gene 2 (EBI2) receptor. J Med Chem. 2014 Apr 24;57(8):3358-68.

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