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Home Compound Sets

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 sales@chem-space.com for more information.
Compound Sets Number of Compounds Select sets to download
   

All

3D-Shaped Fragments    
In-Stock 3D-Shaped Fragments 3 053
Acid Fragments    
In-Stock Acid Fragments 15 665
Amine Fragments    
In-Stock Amine Fragments 14 110
Covalent Fragments    
In-Stock Covalent Fragments 21 085
Fluorine Fragments    
In-Stock Fluorine Fragments 22 373
Heavy Fragments    
In-Stock Heavy Fragments 6 465
Saturated Fragments    
In-Stock Saturated Fragments 13 082
Selected Fragments    
In-Stock Selected Fragments 17 307
Spiro Fragments    
In-Stock Spiro Fragments 4 004
Tiny Fragments    
In-Stock Tiny Fragments 2 660
General Fragments    
In-Stock General Fragments 121 041
Compound Sets Number of Compounds Select sets to download
   

All

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
Freedom Space    
Freedom Space 201 163 364
Screening Compound Catalog    
Screening Compound Catalog 4 434 176
Lead-Like compounds 873 235
(NEW!) Natural-Like Compound Set 49 562
Bioactive Rings Focused Collection    
Rings selected molecule 9 085
ChEMBL analogs    
ChEMBL actives In-Stock 89 803
ChEMBL analogs 239 267
ChEMBL analogs make-on-demand 2 797 996
CNS-Focused Library    
In-Stock CNS-Focused library 106 638
Drug Impurities Library    
Drug Impurities 314
GPCRs Targeted Library    
GPCRs Targeted Library 112 281
Protein Kinases Targeted Libraries    
Allosteric Protein Kinases Targeted Library 12 138
General Protein Kinases Targeted Library 20 091
High QED compounds    
In-Stock High QED compounds 308 925
Ion Channels Targeted Library    
Ion Channels Targeted Library 36 728
Macrocyclic Compounds    
Macrocyclic Compounds set 21 255
Macrocyclic Compounds Scaffolds 74 093
Metal Chelators Library    
In-Stock Metal Chelators Library 135 469
Phenotypic Screening Set    
In-Stock Phenotypic Screening set 89 649
PPI Modulators    
In-Stock PPI Modulators 6 303
Scaffold-Derived Set    
Scaffold-Derived set 6 186
Targeted Libraries    
Targeted Libraries 2 181
Virtual Screening set    
Virtual Screening set 3 878 820
Compound Sets Number of Compounds Select sets to download
Blocks for DEL    
In-Stock Bifunctional Cores for DEL 39 034
In-Stock Trifunctional Cores for DEL 1 207
In-Stock Decorators for DEL 132 202
Compound Sets Number of Compounds Select sets to download
   

All

Covalent Fragments Pre-Plated set    
Pre-Plated Covalent Fragments 4 987
Extended HTS Pre-Plated set    
Extended HTS set 337 920
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
Drug Repurposing Pre-plated Library    
Pre-plated Drug Repurposing Library 4 200
RNA-Targeted Library    
Pre-Plated RNA-Targeted library 2 400
UA-12 Pre-plated Diversity Set    
Chemspace_UA-12_Diversity_set 12 038
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 195 974
Cysteine-targeted Covalent Modifiers    
In-Stock Cysteine-Targeted Covalent Modifiers 77 730
Lysine-targeted Covalent Modifiers    
In-Stock Lysine-Targeted Covalent Modifiers 59 809

Sets by Warhead:

α-Trifluorophenyl Alkene
   
α-Trifluoromethyl Alkene 25
α,β-Unsaturated Amide    
α,β-Unsaturated Carbonyl Amide Alkenyl Substituted 23 877
α,β-Unsaturated Carbonyl Amide Alkynyl 1 865
α,β-Unsaturated Carbonyl Amide Vinyl 20 022
α,β-Unsaturated Ester    
α,β-Unsaturated Carbonyl Ester Alkenyl Substituted 7 783
α,β-Unsaturated Carbonyl Ester Alkynyl 240
α,β-Unsaturated Carbonyl Ester Vinyl 113
α,β-Unsaturated Ketone    
α,β-Unsaturated Carbonyl Ketone Alkenyl Substituted 5 049
α,β-Unsaturated Carbonyl Ketone Alkynyl 27
α,β-Unsaturated Carbonyl Ketone Vinyl 40
α,β-Unsaturated Nitrile    
α,β-Unsaturated Nitrile Alkenyl Substituted 86
α,β-Unsaturated Nitrile Alkynyl 3
α,β-Unsaturated Sulfone    
α,β-Unsaturated Sulfone Alkenyl Substituted 517
α,β-Unsaturated Sulfone Alkynyl 1
α,β-Unsaturated Sulfone Vinyl 152
α,β-Unsaturated Sulfonic Acid    
α,β-Unsaturated Sulfonic Acid Alkenyl Substituted 14
α,β-Unsaturated Sulfonic Acid Vinyl 5
α,β-Unsaturated Sulfonyl Amide    
α,β-Unsaturated Sulfonyl Amide Alkenyl Substituted 1 392
α,β-Unsaturated Sulfonyl Amide Alkynyl 3
α,β-Unsaturated Sulfonyl Amide Vinyl 18
α,β-Unsaturated Thioester    
α,β-Unsaturated Thioester Alkenyl Substituted 4
β-Lactam    
β-Lactam 1 070
β-Lactone    
β-Lactone 30
2-Nitrilodiazine    
2-Nitrilodiazine 208
Acyl Halide    
Acyl Halide 1 510
Aldehyde    
Common warheads in proteolytic enzyme inhibitors, used in the modification of lysine residues in proteomics.    
Aldehyde 14 884
Aldehyde Protected 3 139
Alkenyl Halide    
Alkenyl Halide 2 809
Alkyl Halide    
Abundant in approved and investigational drugs, cysteine alkylation agents. Used in kinase inhibitors design, mechanism-based inhibitors and much more.    
Alkyl Halide 1 720
Alkyne    
Alkyne 18 379
Alkynyl Halide    
Alkynyl Halide 45
Aziridine    
Aziridine 556
Boronic Acid    
Warheads for catalytic serine or threonine residues, as exemplified by the approved proteasome inhibitor bortezomib.    
Boronic Acid 4 801
Boronic Ester    
Boronic Ester 5 590
Carbamate    
Carbamate 23 244
Cyanoacrylamide    
Cyanoacrylamide 2 292
Disulfide    
Disulfide 657
Fluorosulfamide    
Fluorosulfamide 1 095
Fluorosulfate    
Fluorosulfate 455
Imidoyl Halide    
Imidoyl Halide 224
Isocyanate    
Isocyanate 835
Isothiocyanate    
Isothiocyanate 545
Oxetane    
Popular warhead to target different types of proteases and glycosidases, cysteine alkylation. Approved oxetane-based drugs – carfilzomib, fosfomycin.    
Oxetane 4 167
Oxirane    
Oxirane 1 185
Quinone    
Quinone ortho 74
Quinone para 656
Succinate    
Succinate 193
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 1 711
Thiocarbamate    
Thiocarbamate 109
Thioester    
Thioester 12
Thiol    
Thiol Alkyl 1 255
Thiol Aryl 12 344
Thiourea    
Thiourea 14 898