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Home Indole and Oxindoles 227598-41-6
227598-41-6,MFCD00553451
Catalog No.:AA00I4EF

227598-41-6 | 4-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$203.00   $142.00
- +
5g
98%
in stock  
$652.00   $456.00
- +
10g
98%
in stock  
$1,000.00   $700.00
- +
25g
98%
in stock  
$2,007.00   $1,405.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00I4EF
Chemical Name:
4-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid
CAS Number:
227598-41-6
Molecular Formula:
C16H11NO4
Molecular Weight:
281.2628
MDL Number:
MFCD00553451
SMILES:
OC(=O)c1ccc(cc1)CN1C(=O)c2c(C1=O)cccc2
Properties
Computed Properties
 
Complexity:
429  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Vaisburg,Arkadii;Paquin,Isabelle;Bernstein,Naomy;Frechette,Sylvie;Gaudette,Frederic;Leit,Silvana;Moradei,Oscar;Raeppel,Stephane;Zhou,Nancy;Bouchain,Giliane;Woo,SoonHyung;Jin,Zhiyun;Gillespie,Jeff;Wang,James;Fournel,Marielle;Yan,PuTheresa;Trachy-Bourget,Marie-Claude;Robert,Marie-France;Lu,Aihua;Yuk,Jimmy;Rahil,Jubrail;MacLeod,A.Robert;Besterman,JeffreyM.;Li,Zuomei;Delorme,Daniel[BioorganicandMedicinalChemistryLetters,2007,vol.17,#24,p.6729-6733]

227598-41-6    95-54-5   
N-(2-Amino-phenyl)-4-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzamide 

[1]Vaisburg,Arkadii;Paquin,Isabelle;Bernstein,Naomy;Frechette,Sylvie;Gaudette,Frederic;Leit,Silvana;Moradei,Oscar;Raeppel,Stephane;Zhou,Nancy;Bouchain,Giliane;Woo,SoonHyung;Jin,Zhiyun;Gillespie,Jeff;Wang,James;Fournel,Marielle;Yan,PuTheresa;Trachy-Bourget,Marie-Claude;Robert,Marie-France;Lu,Aihua;Yuk,Jimmy;Rahil,Jubrail;MacLeod,A.Robert;Besterman,JeffreyM.;Li,Zuomei;Delorme,Daniel[BioorganicandMedicinalChemistryLetters,2007,vol.17,#24,p.6729-6733]

227598-41-6    114985-63-6    7087-68-5   
1-acetyl-3-1-hydroxy-1-(4-phthalimidomethyl-phenyl)methylidene}-5-nitro-2-indolinone 

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-US6043254,2000,A

227598-41-6    21905-78-2   
1-acetyl-3-1-hydroxy-1-(4-phthalimidomethyl-phenyl)methylidene}-2-indolinone 

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-US6043254,2000,A

227598-41-6   
4-O-methylhydroxylaminephenoxymethyl-copoly(styrene-1%-divinylbenzene)-resin 
 
C16H11N2O4Pol 

[1]CurrentPatentAssignee:UNIVERSITYOFGRANADA-EP2045239,2009,A1Locationinpatent:Page/Pagecolumn16

Literature

Title: Virtual screening approaches for the identification of non-lipid autotaxin inhibitors.

Journal: Bioorganic & medicinal chemistry 20080215

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SDS
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Tags:227598-41-6 Molecular Formula|227598-41-6 MDL|227598-41-6 SMILES|227598-41-6 4-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid