Agro-like Library
Library of compounds intended for use in agro/crop science
15 084 compounds
Typical Formats
Catalog No.
AGR-10-Y-0
Compounds
10 240
32 plates
Amount
Any suitable for 1 assay
Plates and formats
384-well microplates,
320 compounds per plate,
first two and last two columns empty
Price
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Catalog No.
AGR-10-Z-5
Compounds
10 240
8 plates
Amount
5 µL of 10 mM DMSO solutions
Plates and formats
1536-well microplates, Echo Qualified,
1280 compounds per plate,
first four and last four columns empty
Price
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Catalog No.
AGR-10-Y-50
Compounds
10 240
32 plates
Amount
50 µL of 10 mM DMSO solutions
Plates and formats
384-well microplates,
320 compounds per plate,
first two and last two columns empty
Price
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Catalog No.
AGR-10
Compounds
10 240
Amount
Custom
Plates and formats
Any custom format
Price
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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).
