Library of compounds intended for use in agro/crop science
15 084 compounds
Typical Formats
Catalog No.
AGR-10-0-Z-10
Compounds
10 240
8 plates
Amount
≤ 300 nL of 10 mM of DMSO solutions
Plates and formats
1536-well Echo LDV microplates, first and last four columns empty, 1280 compounds per plate
Price
Catalog No.
AGR-10-10-Y-10
Compounds
10 240
32 plates
Amount
≤ 10 µL of 10 mM DMSO solutions
Plates and formats
384-well, Echo Qualified LDV microplates #001-12782 (LP-0200), first and last two columns empty, 320 compounds per plate
Price
Catalog No.
AGR-10-50-Y-10
Compounds
10 240
32 plates
Amount
50 μL of 10 mM DMSO solutions
Plates and formats
384-well, Greiner Bio-One plates #781280, 1,2 and 23,24 columns empty, 320 compounds per plate
Price
Catalog No.
Library & follow-up package
Plates and formats
AGR-10-10-Y-10 screening library 10 240 cmpds, hit resupply, analogs from 4.4M+ stock and synthesis from REAL Space
Price
*We will be happy to provide our library in any other most convenient for your project format. Please select among the following our standard microplates: Greiner Bio-One 781270, 784201, 781280, 651201 or Echo Qualified 001-12782 (LP-0200), 001-14555 (PP-0200), 001-6969 (LP-0400), C52621 or send your preferred labware. Compounds pooling can be provided upon request.
Download SD files
15 084 compounds for cherry-picking
Structural parameters
We have identified several motifs/fragments/moieties which are abundant in agrochemicals. We used each of the following criteria for compound selection:
- contains 4 or more atoms of halogen (mostly Cl and F);
- has S-containing aliphatic/aromatic ring;
- contains polar, heteroatom-rich functional groups (e.g. diacyl hydrazines, N-acyl urea etc);
- contains oxazole/oxazoline rings;
- contains cyclopropanes;
- has O-containing aliphatic rings.
Structural exclusions
- No alcohols, primary amines and secondary amines occur less frequently in agrochemicals;
- No reactive/toxicophore groups (internal medchem filters). At the same time some compounds bearing active halogen (e.g. 2-chloropyridne) were left in the library;
- “Trivial” scaffolds and chemotypes.
Structural inclusions
- Acidic groups (e.g. carboxylic acids, acylsulfonamides etc.);
- Fsp3-rich molecules;
- Unusual/unique chemotypes/scaffolds/combination of cycles.
Diversity
The internal diversity filter was used to select the most diverse compounds (Coefficient of diversity: 0.86409).
