New hartwig libraries: Difference between revisions

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Hartwig libraries are ready for docking as follows
Hartwig libraries are ready for docking as follows


* Each library is numbered <libnum>
== Azetidine libraries ==
* Libraries live in /nfs/db6/hartwig/build/<libnum>
/nfs/ex6/hartwig/build/195/sdi
* complete "usual" sdi file is in /nfs/db6/hartwig/build/<libnum>/sdi
/nfs/ex6/hartwig/build/197/sdi
* contents and size of each directory is in /nfs/db6/hartwig/README
* recipe for BB and reaction used to build can be decoded from /nfs/db6/hartwig/reference/<libnum>-a.dict
* molecules are numbered H0xxx for <libnum> followed by 11 digits.
* if you show John Hartwig the line from the dict file, he knows how to buy cmpds and make it
* Each building block should be 100mg for $100 or less. Many are less.
* If you find a broken molecule or an expensive building block, please send the full compound number to me.
* right now (May 4 noon) the following libraries are ready to dock:  202, 204, 197, 212, 213


* 1:30 pm Friday
/nfs/ex6/hartwig/build/202/sdi
** provisional versions of these are available: 210
/nfs/ex6/hartwig/build/204/sdi
* 195 will be ready by 2pm
/nfs/ex6/hartwig/build/205/sdi
/nfs/ex6/hartwig/build/206/sdi  ** new as of 6/12 **
/nfs/ex6/hartwig/build/207/sdi
/nfs/ex6/hartwig/build/209/sdi


Latest info in the "Hartwig" tab of the curation sheet.
/nfs/ex6/hartwig/build/210/sdi
/nfs/ex6/hartwig/build/211/sdi . ** new as of 6/12 **
/nfs/ex6/hartwig/build/212/sdi
/nfs/ex6/hartwig/build/213/sdi
/nfs/ex6/hartwig/build/214/sdi  ** new as of 6/12 **
/nfs/ex6/hartwig/build/215/sdi  ** new as of 6/13 **
/nfs/ex6/hartwig/build/216/sdi .** new as of 6/13 **


  https://docs.google.com/spreadsheets/d/15c3SSevkfw2SJLDlZnuh64W6BZqYNhXfBgXKEHIZONE/edit?usp=sharing
  /nfs/ex6/hartwig/build/222/sdi ** new as of 6/13 **
 
* we hope acquisition success (purchase + synthesis) will be at least 50%. Please keep track and let us know.


We can produce around 1 M molecules per day, which we will be doing for the next 2-3 weeks.
We can produce around 1 M molecules per day, which we will be doing for the next 2-3 weeks.


John
John

Latest revision as of 23:11, 12 June 2018

Hartwig libraries are ready for docking as follows

Azetidine libraries

/nfs/ex6/hartwig/build/195/sdi
/nfs/ex6/hartwig/build/197/sdi

/nfs/ex6/hartwig/build/202/sdi
/nfs/ex6/hartwig/build/204/sdi
/nfs/ex6/hartwig/build/205/sdi
/nfs/ex6/hartwig/build/206/sdi  ** new as of 6/12 **
/nfs/ex6/hartwig/build/207/sdi
/nfs/ex6/hartwig/build/209/sdi

/nfs/ex6/hartwig/build/210/sdi
/nfs/ex6/hartwig/build/211/sdi . ** new as of 6/12 **
/nfs/ex6/hartwig/build/212/sdi
/nfs/ex6/hartwig/build/213/sdi
/nfs/ex6/hartwig/build/214/sdi  ** new as of 6/12 **
/nfs/ex6/hartwig/build/215/sdi  ** new as of 6/13 **
/nfs/ex6/hartwig/build/216/sdi .** new as of 6/13 **

/nfs/ex6/hartwig/build/222/sdi ** new as of 6/13 **
  • we hope acquisition success (purchase + synthesis) will be at least 50%. Please keep track and let us know.

We can produce around 1 M molecules per day, which we will be doing for the next 2-3 weeks.

John

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