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Home Other Building Blocks 858981-15-4
858981-15-4,MFCD12173495
Catalog No.:AA00IDQD

858981-15-4 | 3-(Dimethylcarbamoyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$95.00   $67.00
- +
250mg
95%
in stock  
$176.00   $123.00
- +
500mg
95%
in stock  
$247.00   $173.00
- +
1g
95%
in stock  
$349.00   $244.00
- +
2g
95%
in stock  
$633.00   $443.00
- +
5g
95%
in stock  
$1,045.00   $731.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IDQD
Chemical Name:
3-(Dimethylcarbamoyl)benzoic acid
CAS Number:
858981-15-4
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD12173495
SMILES:
CN(C(=O)c1cccc(c1)C(=O)O)C
Properties
Computed Properties
 
Complexity:
238  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
0.1  

Downstream Synthesis Route

[1]Keurulainen,Leena;Vahermo,Mikko;Puente-Felipe,Margarita;Sandoval-Izquierdo,Elena;Crespo-Fernández,Benigno;Guijarro-López,Laura;Huertas-Valentín,Leticia;DeLasHeras-Dueña,Laura;Leino,TeppoO.;Siiskonen,Antti;Ballell-Pages,Lluís;Sanz,LauraM.;Castañeda-Casado,Pablo;Jiménez-Díaz,M.Belén;Martínez-Martínez,MaríaS.;Viera,Sara;Kiuru,Paula;Calderón,Félix;Yli-Kauhaluoma,Jari[JournalofMedicinalChemistry,2015,vol.58,#11,p.4573-4580]

[2]CurrentPatentAssignee:KIRINHOLDINGSCO.,LTD.;KyowaKirin(in:KirinHoldings)-EP1700856,2006,A1Locationinpatent:Page/Pagecolumn136

[3]Locationinpatent:experimentalpartParik,Patrik;Kulhanek,Jiri;Ludwig,Miroslav;Wagner,Roman;Rotrekl,Ivan;Drahonovsky,Dusan;Meca,Ludek;Smidkova,Marketa;Tobrman,Tomas;Dvorak,Dalimil[Organometallics,2010,vol.29,#18,p.4135-4138]

[1]Keurulainen,Leena;Vahermo,Mikko;Puente-Felipe,Margarita;Sandoval-Izquierdo,Elena;Crespo-Fernández,Benigno;Guijarro-López,Laura;Huertas-Valentín,Leticia;DeLasHeras-Dueña,Laura;Leino,TeppoO.;Siiskonen,Antti;Ballell-Pages,Lluís;Sanz,LauraM.;Castañeda-Casado,Pablo;Jiménez-Díaz,M.Belén;Martínez-Martínez,MaríaS.;Viera,Sara;Kiuru,Paula;Calderón,Félix;Yli-Kauhaluoma,Jari[JournalofMedicinalChemistry,2015,vol.58,#11,p.4573-4580]

64-18-6    858981-15-4    309718-03-4   
N1-3-(1H-benzdimidazol-2-yl)aminopropyl-N3,N3-dimethylisophthalamideformate 

[1]Keurulainen,Leena;Vahermo,Mikko;Puente-Felipe,Margarita;Sandoval-Izquierdo,Elena;Crespo-Fernández,Benigno;Guijarro-López,Laura;Huertas-Valentín,Leticia;DeLasHeras-Dueña,Laura;Leino,TeppoO.;Siiskonen,Antti;Ballell-Pages,Lluís;Sanz,LauraM.;Castañeda-Casado,Pablo;Jiménez-Díaz,M.Belén;Martínez-Martínez,MaríaS.;Viera,Sara;Kiuru,Paula;Calderón,Félix;Yli-Kauhaluoma,Jari[JournalofMedicinalChemistry,2015,vol.58,#11,p.4573-4580]

[1]Carzaniga,Laura;Amari,Gabriele;Rizzi,Andrea;Capaldi,Carmelida;DeFanti,Renato;Ghidini,Eleonora;Villetti,Gino;Carnini,Chiara;Moretto,Nadia;Facchinetti,Fabrizio;Caruso,Paola;Marchini,Gessica;Battipaglia,Loredana;Patacchini,Riccardo;Cenacchi,Valentina;Volta,Roberta;Amadei,Francesco;Pappani,Alice;Capacchi,Silvia;Bagnacani,Valentina;Delcanale,Maurizio;Puccini,Paola;Catinella,Silvia;Civelli,Maurizio;Armani,Elisabetta[JournalofMedicinalChemistry,2017,vol.60,#24,p.10026-10046]

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Tags:858981-15-4 Molecular Formula|858981-15-4 MDL|858981-15-4 SMILES|858981-15-4 3-(Dimethylcarbamoyl)benzoic acid