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Compound sets

You can order full set or selected subset based on your criteria. All compounds are supplied as powders, solutions, or dry films. Please contact us at [email protected] for more information.
FragmentsScreening CompoundsBuilding BlocksPre-PlatedDELPROTACsCovalent Modifiers
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Compound Sets Number of Compounds Select sets to download
   

All
REAL Fragment Library    
REAL Fragment Library 4 960
REAL Crystallographic Library 524
3D-Shaped Fragments    
In-Stock 3D-Shaped Fragments 3 566
Acid Fragments    
In-Stock Acid Fragments 19 986
Amine Fragments    
In-Stock Amine Fragments 19 191
Covalent Fragments    
In-Stock Covalent Fragments 31 426
Fluorine Fragments    
In-Stock Fluorine Fragments 31 250
Heavy Fragments    
In-Stock Heavy Fragments 7 690
Saturated Fragments    
In-Stock Saturated Fragments 17 003
Selected Fragments    
In-Stock Selected Fragments 20 589
Spiro Fragments    
In-Stock Spiro Fragments 6 801
Tiny Fragments    
In-Stock Tiny Fragments 2 846
General Fragments    
In-Stock General Fragments 166 769
Compound Sets Number of Compounds Select sets to download
   

All
Screening Compound Catalog    
Screening Compound Catalog 7 685 050
Lead-Like compounds 1 383 961
Natural-Like Compound Set 68 629
Bioactive Rings Focused Collection    
Rings selected molecule 9 085
ChEMBL analogs    
ChEMBL actives In-Stock 36 943
ChEMBL analogs 99 043
CNS-Focused Library    
In-Stock CNS-Focused library 88 873
Discovery Diversity Set    
Discovery Diversity Set 5K 5 000
Discovery Diversity Set 10K 10 000
Drug Impurities Library    
Drug Impurities 347
Fight COVID19 libraries    
P1: SARS-CoV2 protease inhibitor-like molecules 1 689
P2: SARS-CoV protease inhibitor-like molecules 59 148
P3: In-Stock SARS-CoV-2 protease inhibitors 5 346
GPCR Targeted Library    
GPCR Targeted Library 112 281
High QED compounds    
In-Stock High QED compounds 476 546
Ion Channel Targeted Library    
Ion Channel Targeted Library 36 728
Legacy Screening Library    
Legacy Screening Library 1 760 285
Macrocyclic Compounds    
Macrocyclic Compounds set 25 183
Metal Chelators Library    
In-Stock Metal Chelators Library 133 790
Phenotypic Screening Set    
In-Stock Phenotypic Screening set 36 732
PPI Modulators    
In-Stock PPI Modulators 6 233
Protein Kinases Targeted Libraries    
Allosteric Protein Kinases Targeted Library 12 138
General Protein Kinases Targeted Library 20 091
Scaffold-Derived Set    
Scaffold-Derived set 10 887
Targeted Libraries    
Targeted Libraries 2 181
Compound Sets Number of Compounds Select sets to download
   

All
Building Blocks for DEL    
Novel DEL-compatible Building Blocks 3 375
In-Stock Bifunctional Cores for DEL 90 777
In-Stock Trifunctional Cores for DEL 3 423
In-Stock Decorators for DEL 229 292
Bioisosteric Replacements    
Carboxylic Acid Bioisosteres 378
tert-Butyl Group Bioisosteres 158
meta-Substituted Benzene Bioisosteres 257
ortho-Substituted Benzene Bioisosteres 115
para-Substituted Benzene Bioisosteres 481
Compound Sets Number of Compounds Select sets to download
   

All
Discovery Diversity Set with REAL Hit Extension    
Pre-Plated Discovery Diversity Set 50K 50 240
REAL Extension Set 6 208 969
Pre-Plated Type II Kinase Inhibitors Library    
Pre-Plated Type II Kinase Inhibitors Library 528
REAL Fragment Pre-Plated Library    
REAL Fragment Pre-Plated Library 4 960
ChEMBL Actives Pre-Plated Library    
ChEMBL Actives Pre-Plated Library 8 621
CNS Pre-Plated Focused Library    
CNS Pre-Plated Focused Library 30 458
Covalent Fragments Pre-Plated Library    
Covalent Fragments Pre-Plated Library 1 360
Drug Repurposing Pre-plated Library    
Pre-plated Drug Repurposing Library 4 015
Extended HTS Pre-Plated set    
Extended HTS set 338 552
General Pre-Plated Library    
General Pre-Plated Library 822 401
GPCRs Targeted Pre-Plated Library    
GPCRs Targeted Pre-Plated Library 8 617
High QED Compounds Pre-Plated Library    
High QED Compounds Pre-Plated Library 85 696
Hit Discovery set    
HD Drug-Like subset 57 280
HD Fragments subset 960
HD Lead-Like subset 4 480
HD Representative subset 4 800
HD Unique subset 4 480
HD Full set 72 000
Ion Channels Targeted Pre-Plated Library    
Ion Channels Targeted Pre-Plated Library 3 143
Lead-like Compounds Pre-Plated Library    
Lead-like Compounds Pre-Plated Library 226 668
Natural Product-Like Compounds Pre-Plated Library    
Natural Product-Like Compounds Pre-Plated Library 11 520
NexMR Fragment Library    
NexMR Fragment Library 480
Phenotypic Screening Compounds Pre-Plated Library    
Phenotypic Screening Compounds Pre-Plated Library 8 595
RNA-Targeted Library    
Pre-Plated RNA-Targeted library 2 400
Compound Sets Number of Compounds Select sets to download
OpenDEL - Billions in A Vial!    
HitGen OpenDEL 2 000 000 000
Compound Sets Number of Compounds Select sets to download
PROTACs    
PROTACs Anchors 257
PROTACs Linkers 702
Compound Sets Number of Compounds Select sets to download
   

All
Covalent Modifiers    
In-Stock Covalent Modifiers 265 454
Cysteine-targeted Covalent Modifiers    
In-Stock Cysteine-Targeted Covalent Modifiers 117 368
Lysine-targeted Covalent Modifiers    
In-Stock Lysine-Targeted Covalent Modifiers 39 054

Sets by Warhead:

α-Trifluorophenyl Alkene 		   
α-Trifluoromethyl Alkene 73
α,β-Unsaturated Amide    
α,β-Unsaturated Carbonyl Amide Alkenyl Substituted 32 259
α,β-Unsaturated Carbonyl Amide Alkynyl 2 433
α,β-Unsaturated Carbonyl Amide Vinyl 30 213
α,β-Unsaturated Ester    
α,β-Unsaturated Carbonyl Ester Alkenyl Substituted 8 622
α,β-Unsaturated Carbonyl Ester Alkynyl 116
α,β-Unsaturated Carbonyl Ester Vinyl 26
α,β-Unsaturated Ketone    
α,β-Unsaturated Carbonyl Ketone Alkenyl Substituted 7 219
α,β-Unsaturated Carbonyl Ketone Alkynyl 10
α,β-Unsaturated Carbonyl Ketone Vinyl 6
α,β-Unsaturated Nitrile    
α,β-Unsaturated Nitrile Alkenyl Substituted 55
α,β-Unsaturated Nitrile Alkynyl 1
α,β-Unsaturated Sulfone    
α,β-Unsaturated Sulfone Alkenyl Substituted 2 777
α,β-Unsaturated Sulfone Vinyl 252
α,β-Unsaturated Sulfonic Acid    
α,β-Unsaturated Sulfonic Acid Alkenyl Substituted 18
α,β-Unsaturated Sulfonic Acid Vinyl 5
α,β-Unsaturated Sulfonyl Amide    
α,β-Unsaturated Sulfonyl Amide Alkenyl Substituted 2 251
α,β-Unsaturated Sulfonyl Amide Alkynyl 2
α,β-Unsaturated Sulfonyl Amide Vinyl 1 450
α,β-Unsaturated Thioester    
α,β-Unsaturated Thioester Alkenyl Substituted 4
β-Lactam    
β-Lactam 1 979
β-Lactone    
β-Lactone 115
2-Nitrilodiazine    
2-Nitrilodiazine 537
Acyl Halide    
Acyl Halide 607
Aldehyde    
Common warheads in proteolytic enzyme inhibitors, used in the modification of lysine residues in proteomics.    
Aldehyde 18 446
Aldehyde Protected 4 089
Alkenyl Halide    
Alkenyl Halide 4 224
Alkyl Halide    
Abundant in approved and investigational drugs, cysteine alkylation agents. Used in kinase inhibitors design, mechanism-based inhibitors and much more.    
Alkyl Halide 1 750
Alkyne    
Alkyne 23 102
Alkynyl Halide    
Alkynyl Halide 87
Aziridine    
Aziridine 560
Boronic Acid    
Warheads for catalytic serine or threonine residues, as exemplified by the approved proteasome inhibitor bortezomib.    
Boronic Acid 2 681
Boronic Ester    
Boronic Ester 4 784
Carbamate    
Carbamate 38 010
Cyanoacrylamide    
Cyanoacrylamide 5 914
Disulfide    
Disulfide 2 529
Fluorosulfamide    
Fluorosulfamide 1 244
Fluorosulfate    
Fluorosulfate 566
Imidoyl Halide    
Imidoyl Halide 113
Isocyanate    
Isocyanate 174
Isothiocyanate    
Isothiocyanate 301
Oxetane    
Popular warhead to target different types of proteases and glycosidases, cysteine alkylation. Approved oxetane-based drugs – carfilzomib, fosfomycin.    
Oxetane 8 271
Oxirane    
Oxirane 1 258
Quinone    
Quinone ortho 107
Quinone para 1 500
Succinate    
Succinate 157
Sulfonyl Fluoride    
Addressing the ε-amino group of lysines, targeting tyrosine, activated serine, or threonine residues, reactive toward cysteine and histidine side chains.    
Sulfonyl Fluoride 3 620
Thiocarbamate    
Thiocarbamate 188
Thioester    
Thioester 13
Thiol    
Thiol Alkyl 315
Thiol Aryl 16 411
Thiourea    
Thiourea 33 933