Home Fluorides 943320-50-1
943320-50-1,MFCD22572796
Catalog No.:AA00IHZI

943320-50-1 | 3-Iodo-4-methyl-n-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide

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250mg
95%
in stock  
$261.00   $183.00
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1g
95%
in stock  
$594.00   $416.00
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5g
95%
in stock  
$2,007.00   $1,405.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IHZI
Chemical Name:
3-Iodo-4-methyl-n-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
CAS Number:
943320-50-1
Molecular Formula:
C21H23F3IN3O
Molecular Weight:
517.3265
MDL Number:
MFCD22572796
SMILES:
CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)I)C
Properties
Computed Properties
 
Complexity:
554  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
4.3  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartHuang,Wei-Sheng;Metcalf,ChesterA.;Sundaramoorthi,Raji;Wang,Yihan;Zou,Dong;Thomas,R.Mathew;Zhu,Xiaotian;Cai,Lisi;Wen,David;Liu,Shuangying;Romero,Jan;Qi,Jiwei;Chen,Ingrid;Banda,Geetha;Lentini,ScottP.;Das,Sasmita;Xu,Qihong;Keats,Jeff;Wang,Frank;Wardwell,Scott;Ning,Yaoyu;Snodgrass,JosephT.;Broudy,MarcI.;Russian,Karin;Zhou,Tianjun;Commodore,Lois;Narasimhan,NarayanaI.;Mohemmad,QurishK.;Iuliucci,John;Rivera,VictorM.;Dalgarno,DavidC.;Sawyer,TomiK.;Clackson,Tim;Shakespeare,WilliamC.[JournalofMedicinalChemistry,2010,vol.53,#12,p.4701-4719]

[2]CurrentPatentAssignee:SHENZHENSYNLEDTECH-CN108047230,2020,BLocationinpatent:Paragraph0004;0049;0053-0056;0058;0062-0065

[1]Ren,Xiaomei;Pan,Xiaofen;Zhang,Zhang;Wang,Deping;Lu,Xiaoyun;Li,Yupeng;Wen,Donghai;Long,Huoyou;Luo,Jinfeng;Feng,Yubing;Zhuang,Xiaoxi;Zhang,Fengxiang;Liu,Jianqi;Leng,Fang;Lang,Xingfen;Bai,Yang;She,Miaoqin;Tu,Zhengchao;Pan,Jingxuan;Ding,Ke[JournalofMedicinalChemistry,2013,vol.56,#3,p.879-894]

[1]CurrentPatentAssignee:NANJINGSANHOMEINVESTMENTGROUPCOLTD-CN103664951,2016,B

Literature
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SDS
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Tags:943320-50-1 Molecular Formula|943320-50-1 MDL|943320-50-1 SMILES|943320-50-1 3-Iodo-4-methyl-n-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide