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54001-17-1,MFCD00141960
Catalog No.:AA00DCHQ

54001-17-1 | 2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

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Purity
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Price(USD)
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250mg
95%
in stock  
$112.00   $78.00
- +
1g
95%
in stock  
$261.00   $183.00
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5g
95%
in stock  
$843.00   $590.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DCHQ
Chemical Name:
2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CAS Number:
54001-17-1
Molecular Formula:
C11H8ClNO2S
Molecular Weight:
253.7047
MDL Number:
MFCD00141960
SMILES:
Clc1ccc(cc1)c1nc(c(s1)C(=O)O)C
Properties
Computed Properties
 
Complexity:
269  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.5  

Downstream Synthesis Route

[1]Sierra,MichaelL.;Beneton,Véronique;Boullay,Anne-Bénédict;Boyer,Thierry;Brewster,AndrewG.;Donche,Frédéric;Forest,Marie-Claire;Fouchet,Marie-Hélène;Gellibert,FrançoiseJ.;Grillot,DidierA.;Lambert,MillardH.;Laroze,Alain;LeGrumelec,Christelle;Linget,JeanMichel;Montana,ValerieG.;Nguyen,Van-Loc;Nicodème,Edwige;Patel,Vipul;Penfornis,Annie;Pineau,Olivier;Pohin,Danig;Potvain,Florent;Poulain,Géraldine;Ruault,CécileBertho;Saunders,Michael;Toum,Jérôme;Xu,H.Eric;Xu,RobertX.;Pianetti,PascalM.[JournalofMedicinalChemistry,2007,vol.50,#4,p.685-695]

[2]Chouha,Nora;Abou-Hamdan,Hussein;Yurugi,Hajime;Yoshii,Riku;Ii,Hiromi;Najem,Ahmad;Ghanem,GhanemE.;Nakata,Susumu;Rajalingam,Krishnaraj;Peng,Yu;Wang,Dong;Nebigil,CananG.;Désaubry,Laurent[EuropeanJournalofMedicinalChemistry,2022,vol.242]

[3]Chouha,Nora;Abou-Hamdan,Hussein;Yurugi,Hajime;Yoshii,Riku;Ii,Hiromi;Najem,Ahmad;Ghanem,GhanemE.;Nakata,Susumu;Rajalingam,Krishnaraj;Peng,Yu;Wang,Dong;Nebigil,CananG.;Désaubry,Laurent[EuropeanJournalofMedicinalChemistry,2022,vol.242]

[4]Csavassy,G.;Gyoerfi,Z.A.[JustusLiebigsAnnalenderChemie,1974,p.1195-1205]

[5]Li,Guoliang;He,Yundong;Zhou,Wenbo;Wang,Peng;Zhang,Yong;Tong,Weiguang;Wu,Haigang;Liu,Mingyao;Ye,Xiyun;Chen,Yihua[Heterocycles,2014,vol.89,#2,p.453-464]

[6]Ma,Liang;Wang,Taijin;Shi,Min;Fu,Ping;Pei,Heying;Ye,Haoyu[ChemicalBiologyandDrugDesign,2016,p.26-37]

[7]Zhu,Jianjun;Chen,Yazhen;Su,Fen;Wang,Peiyi[JournalofChemistry,2021,vol.2021]

[1]Patent:EP1780210,2007,A1.Locationinpatent:Page/Pagecolumn58-59

[2]Patent:EP1862464,2007,A1.Locationinpatent:Page/Pagecolumn47-48

[1]Locationinpatent:experimentalpartLi,Ze;Khaliq,Mansoora;Zhou,Zhigang;Post,CarolBeth;Kuhn,RichardJ.;Cushman,Mark[JournalofMedicinalChemistry,2008,vol.51,#15,p.4660-4671]

[2]Locationinpatent:schemeortableMayhoub,AbdelrahmanS.;Khaliq,Mansoora;Kuhn,RichardJ.;Cushman,Mark[JournalofMedicinalChemistry,2011,vol.54,#6,p.1704-1714]

[1]JournalofMedicinalChemistry,2008,vol.51,p.4660-4671

[1]Locationinpatent:schemeortableNomura,Masahiro;Yumoto,Kazuhiro;Shinozaki,Takehiro;Isogai,Shigeki;Takano,Yasuo;Murakami,Koji[BioorganicandMedicinalChemistryLetters,2012,vol.22,#1,p.334-338]

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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Tags:54001-17-1 Molecular Formula|54001-17-1 MDL|54001-17-1 SMILES|54001-17-1 2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid