Home Other Building Blocks 1378872-36-6
1378872-36-6,MFCD23098913
Catalog No.:AA01E1NX

1378872-36-6 | Ml239

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
97%
in stock  
$9.00   $7.00
- +
5mg
97%
in stock  
$14.00   $10.00
- +
10mg
97%
in stock  
$19.00   $14.00
- +
25mg
97%
in stock  
$32.00   $22.00
- +
50mg
97%
in stock  
$52.00   $36.00
- +
100mg
97%
in stock  
$86.00   $61.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01E1NX
Chemical Name:
Ml239
CAS Number:
1378872-36-6
Molecular Formula:
C13H10Cl3N3O2
Molecular Weight:
346.5964
MDL Number:
MFCD23098913
SMILES:
O=C(COc1c(Cl)cc(cc1Cl)Cl)N/N=C/c1ccc[nH]1
Properties
Computed Properties
 
Complexity:
372  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
3.9  

Downstream Synthesis Route

[1]Germain,AndrewR.;Carmody,LeighC.;Morgan,Barbara;Fernandez,Cristina;Forbeck,Erin;Lewis,TimothyA.;Nag,ParthaP.;Ting,Amal;Verplank,Lynn;Feng,Yuxiong;Perez,JoseR.;Dandapani,Sivaraman;Palmer,Michelle;Lander,EricS.;Gupta,PiyushB.;Schreiber,StuartL.;Munoz,Benito[BioorganicandMedicinalChemistryLetters,2012,vol.22,#10,p.3571-3574]

[2]CurrentPatentAssignee:BROADINSTITUTE-WO2013/32907,2013,A1Locationinpatent:Page/Pagecolumn52

Literature

Title: Germain AR, et al. Identification of a selective small molecule inhibitor of breast cancer stem cells. Bioorg Med Chem Lett. 2012 May 15;22(10):3571-4.

Title: Rees MG, et al. Correlating chemical sensitivity and basal gene expression reveals mechanism of action. Nat Chem Biol. 2016 Feb;12(2):109-16.

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SDS
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