Explore small molecules, screening libraries, and tool compounds for discovery research. Browse by target, pathway, or ligand family to quickly find inhibitors, agonists, and chemical probes, with searchable structure/CAS data and supporting documents (SDS/COA where available).
By Target / Pathway / Disease
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Ready-to-screen compound libraries and focused sets for hit discovery. Browse libraries by target class, pathway, scaffold, or application, and review size, format, and compound information to build screening panels.Customize Your Screening Library to choose compounds, format, and volume, and we’ll prepare a ready-to-use set for you.Customize Your Screening Library
Ligand families
24,642Navigate small molecules by ligand family or scaffold to build focused sets and explore structure–activity relationships. This category groups related chemotypes, helping you select analogs, fragments, and tool molecules for discovery research.
ADC-focused building blocks and tools to support antibody–drug conjugate research. Explore payloads, linkers, conjugation reagents, and related small-molecule components (where available) for designing and evaluating ADC constructs.
PROTAC
2,814PROTAC and targeted protein degradation tools for discovery research. Browse degrader-related ligands, linkers, and building blocks (where available) to assemble or screen PROTAC designs, with clear identifiers for efficient selection.
By Signaling Pathways
102,635Explore pathway-focused tool compounds to study and modulate key signaling cascades. Browse small molecules grouped by signaling pathway to support mechanism studies, phenotypic assays, and target validation, with clear identifiers for fast searching.
By Target (DTO)
19,700Find bioactive small molecules organized by protein target (DTO). Quickly locate tool compounds for specific targets and compare identifiers such as structure, CAS, and synonyms—plus supporting documents (where available)—to build screening and validation sets.
By Disease (DOID)
8,782Shop small molecules and tool compounds organized by disease area (DOID). Discover chemical probes, libraries, and related products mapped to therapeutic areas to help assemble compound sets for screening, pathway exploration, and model studies.
Popular Products
- TC-2403 oxalate◐ .Made to order · 8–12 wks Item #: T274843View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E,2S)-N-methyl-5-pyridin-3-ylpent-4-en-2-amine
- SMILES
- CC(CC=CC1=CN=CC=C1)NC
- InChIKey
- IEVJOUFGBRDCNE-YVGDHZEHSA-N
- InChI
- 1S/C11H16N2/c1-10(12-2)5-3-6-11-7-4-8-13-9-11/h3-4,6-10,12H,5H2,1-2H3/b6-3+/t10-/m0/s1
- Synonyms
- (E)-N-Methyl-4-(3-pyridinyl)-3-buten-1-amineoxalate
- TC-C 14G◐ .Made to order · 8–12 wks Item #: T288283View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
- SMILES
- C1COCCN1C(=O)C2=CC3=C(C=C2F)OC(O3)(C4=CC=C(C=C4)F)C5=C(C=C(C=C5)Cl)Cl
- InChIKey
- VUCKSZWMRCSPME-UHFFFAOYSA-N
- InChI
- 1S/C24H17Cl2F2NO4/c25-15-3-6-18(19(26)11-15)24(14-1-4-16(27)5-2-14)32-21-12-17(20(28)13-22(21)33-24)23(30)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2
- Synonyms
- [2-(2,4-Dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-4-morpholinyl-methanone
- ACPT-IICAS: 195209-04-2 Formula: C8H11NO6 Molecular Weight: 217.18◐ .Made to order · 8–12 wks Item #: A287668View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,2S)-4-aminocyclopentane-1,2,4-tricarboxylic acid
- SMILES
- C1C(C(CC1(C(=O)O)N)C(=O)O)C(=O)O
- InChIKey
- FERIKTBTNCSGJS-OBLUMXEWSA-N
- InChI
- 1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8?
- Synonyms
- (1R,3R,4S)-1-Aminocyclopentane-1,3,4-tricarboxylic acid
- BDP FL maleimideCAS: 773859-49-7 Formula: C20H21BF2N4O3 Molecular Weight: 414.21● In Stock — US warehouse, ships to EU* Item #: B276047View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)NCCN4C(=O)C=CC4=O)C)C)(F)F
- InChIKey
- OEMKXDGSMCHMJQ-UHFFFAOYSA-N
- InChI
- show more
- Acamprosate Calcium, GABA-A receptor; anion channel positive modulatorCAS: 77337-73-6 Formula: C10H20CaN2O8S2 Molecular Weight: 400.47● In Stock — US warehouse, ships to EU* Item #: A151071View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- calcium;3-acetamidopropane-1-sulfonate
- SMILES
- CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]
- InChIKey
- BUVGWDNTAWHSKI-UHFFFAOYSA-L
- InChI
- 1S/2C5H11NO4S.Ca/c2*1-5(7)6-3-2-4-11(8,9)10;/h2*2-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2
- Synonyms
- ACAMPROSATE CALCIUM [WHO-DD] | calcium 3-acetamidopropane-1-sulfonate | Z1696861853 | ACAMPROSATE CALCIUM [MI] | Calc...
- Aspartate Solution, Excitatory amino acid transporter 1;Excitatory amino acid transporter 2;Excitatory amino acid transporter 3;Excitatory amino acid transporter 4;Excitatory amino acid transporter 5CAS: 6899-03-2 Formula: HO2CCH2CH(NH2)CO2H Molecular Weight: 133.10.5% aqueous solution● In Stock — US warehouse, ships to EU* Item #: A304400View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-aminobutanedioic acid
- SMILES
- C(C(C(=O)O)N)C(=O)O
- InChIKey
- CKLJMWTZIZZHCS-REOHCLBHSA-N
- InChI
- 1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
- Synonyms
- L-aspartic acid|aspartic acid|56-84-8|H-Asp-OH|Asparagic acid|(2S)-2-aminobutanedioic acid|L-aspartate|aspartate|Aspa...
- GR 203040◐ .Made to order · 8–12 wks Item #: G287642View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3S)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
- SMILES
- COC1=C(C=C(C=C1)N2C=NN=N2)CNC3CCCNC3C4=CC=CC=C4.Cl.Cl
- InChIKey
- UYDCUPIPQXAELR-OINVMNEBSA-N
- InChI
- show more
- Synonyms
- SCHEMBL8529468 | (2-Methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine | UYDCUPIPQXAELR-OINVMNEBSA-N | AKOS0...
- TC-G 1008● In Stock — US warehouse, ships to EU* Item #: T287106View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[3-chloro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
- SMILES
- CNC1=NC(=CC(=N1)NCC2=C(C=C(C=C2)NS(=O)(=O)C)Cl)C3=CC=CC=N3
- InChIKey
- DRSZMILOMUPIBJ-UHFFFAOYSA-N
- InChI
- 1S/C18H19ClN6O2S/c1-20-18-23-16(15-5-3-4-8-21-15)10-17(24-18)22-11-12-6-7-13(9-14(12)19)25-28(2,26)27/h3-10,25H,11H2,1-2H3,(H2,20,22,23,24)
- Synonyms
- GPR39-C3 | N-[3-Chloro-4-[[[2-(methylamino)-6-(2-pyridinyl)-4-pyrimidinyl]amino]methyl]phenyl]methanesulfonamide | TC...
- ACTH (1-39) (rat)◐ .Made to order · 8–12 wks Item #: A276127View ProductPricing & Pack Sizes
Technical Identifiers
- DV 7028 hydrochlorideCAS: 133364-62-2 Formula: C21H25FN4O3•HCl Molecular Weight: 436.91◐ .Made to order · 8–12 wks Item #: D287055View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione;hydrochloride
- SMILES
- C1CCN2C(=NC(=O)N(C2=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C1.Cl
- InChIKey
- MEULLZRAYZSDGF-UHFFFAOYSA-N
- InChI
- 1S/C21H25FN4O3.ClH/c22-17-6-4-15(5-7-17)19(27)16-8-11-24(12-9-16)13-14-26-20(28)23-18-3-1-2-10-25(18)21(26)29;/h4-7,16H,1-3,8-14H2;1H
- Synonyms
- 3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]-1,3,5-triazine-2,4(3H)-dione hydro...
- ACTH (1-4)CAS: 19405-50-6 Formula: C20H30N4O8S Molecular Weight: 486.6◐ .Made to order · 8–12 wks Item #: A275980View ProductPricing & Pack Sizes
Technical Identifiers
- SMILES
- O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)Cc1ccc(O)cc1)CO)CCSC
- Acetic propionic anhydrideCAS: 13080-96-1 Formula: C5H8O3 Molecular Weight: 116.12Liquid ≥95%◐ .Made to order · 8–12 wks Item #: A302345View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- acetyl propanoate
- SMILES
- CCC(=O)OC(=O)C
- InChIKey
- KLUDQUOLAFVLOL-UHFFFAOYSA-N
- InChI
- 1S/C5H8O3/c1-3-5(7)8-4(2)6/h3H2,1-2H3
- Synonyms
- acetic propanoic anhydride | Propanoic acid, anhydride with acetic acid | DTXSID50513918 | Aceticpropionicanhydride |...
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Frequently Asked Questions
What does the By Target/Pathway/Disease listing cover?
It groups compounds associated with targets in By Target/Pathway/Disease, organised so you can move from the pathway to an individual target and then to a specific chemotype. Each entry carries structure, CAS number, and reported activity.
How is By Target/Pathway/Disease organised?
By Target/Pathway/Disease is broken down into Compound Libraries, PROTACs, molecular glues and other degraders and Antibody-drug Conjugates(ADC). Compounds acting on more than one node appear under each relevant target.
How do I choose compounds for By Target/Pathway/Disease research?
For By Target/Pathway/Disease, pick a well-characterised reference compound for the node you want to perturb, and pair it with a structurally unrelated compound hitting the same target — that is the cleanest way to separate pathway effects from off-target ones. Check potency, selectivity, and cell permeability against your assay format. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
How do I find a specific compound within By Target/Pathway/Disease?
Search By Target/Pathway/Disease by compound name, CAS number, or SMILES, or drill down through the target listing. Unlisted compounds and bulk quantities: [email protected]. We supply verified businesses, research institutions, universities, and government agencies.