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
24,635Navigate 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
102,621Explore 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)
19,694Find 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 —to build screening and validation sets.
By Disease (DOID)
8,779Shop 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.
Products
- LY2562175, Bile acid receptor FXR agonistCAS: 1103500-20-4 Formula: C28H27Cl2N3O4 Molecular Weight: 540.44● In Stock — US warehouse, ships to EU* Item #: L412363View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindole-3-carboxylic acid
- SMILES
- CN1C=C(C2=C1C=C(C=C2)N3CCC(CC3)OCC4=C(ON=C4C5=C(C=CC=C5Cl)Cl)C6CC6)C(=O)O
- InChIKey
- RPVDFHPBGBMWID-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- SB19684 | 1103500-20-4 | AKOS040741985 | UNII-VVA2ZDV3LX | MS-29957 | TERN-101 | AC-36270 | RPVDFHPBGBMWID-UHFFFAOYSA...
- LY2828360, Cannabinoid CB2 receptor agonistCAS: 1231220-79-3 Formula: C22H27ClN6O Molecular Weight: 426.94● In Stock — US warehouse, ships to EU* Item #: L412378View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-(oxan-4-yl)purine
- SMILES
- CC1=NC2=C(C(=N1)N3CCN(CC3)C)N=C(N2C4CCOCC4)C5=CC=CC=C5Cl
- InChIKey
- UCMNDPDJRSEZPL-UHFFFAOYSA-N
- InChI
- 1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3
- Synonyms
- 1231220-79-3 | HY-16642A | SCHEMBL2486504 | UCMNDPDJRSEZPL-UHFFFAOYSA-N | BDBM50006250 | UNII-O12H7VFU6P | 8-(2-chlor...
- LY2857785CAS: 1619903-54-6 Formula: C26H36N6O Molecular Weight: 448.610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: L421959View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-1-N-(oxan-4-yl)cyclohexane-1,4-diamine
- SMILES
- CC(C)C1=C2C=C(C=CC2=NN1C)C3=NC(=NC=C3)NC4CCC(CC4)NC5CCOCC5
- InChIKey
- LHIUZPIDLZYPRL-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 1,4-Cyclohexanediamine,N1-[4-[2-methyl-3-(1-methylethyl)-2H-indazol-5-yl]-2-pyrimidinyl]-N4-(tetra...
- LY3405105CAS: 2326428-25-3 Formula: C26H39N7O3 Molecular Weight: 497.63● In Stock — US warehouse, ships to EU* Item #: L413667View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl] 4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
- SMILES
- CC1=NC2=C(C=NN2C(=C1)NC3CCN(CC3)C(=O)OC4CCN(C4)C(=O)C=CCN(C)C)C(C)C
- InChIKey
- GRDAHPJRLCTJNA-VOTSOKGWSA-N
- InChI
- show more
- Synonyms
- 1-Piperidinecarboxylic acid,4-[[5-methyl-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-,1-[(2E)...
- LY3405105CAS: 2326428-25-3 Formula: C26H39N7O3 Molecular Weight: 497.6310mM in DMSO● In Stock — US warehouse, ships to EU* Item #: L422754View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl] 4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
- SMILES
- CC1=NC2=C(C=NN2C(=C1)NC3CCN(CC3)C(=O)OC4CCN(C4)C(=O)C=CCN(C)C)C(C)C
- InChIKey
- GRDAHPJRLCTJNA-VOTSOKGWSA-N
- InChI
- show more
- Synonyms
- 1-Piperidinecarboxylic acid,4-[[5-methyl-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-,1-[(2E)...
- LY411575CAS: 209984-57-6 Formula: C26H23F2N3O4 Molecular Weight: 479.48Liquid 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: L409285View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Benzeneacetamide, N-[(1S)-2-[[(7S)-6,7-dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl]amino]-1-methyl-2-oxoethyl]-3...
- LY88074CAS: 177744-96-6 Formula: C21H14O4S Molecular Weight: 362.4● In Stock — US warehouse, ships to EU* Item #: L412524View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-hydroxyphenyl)methanone
- SMILES
- C1=CC(=CC=C1C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)O)O
- InChIKey
- CTMKIRXPVZYQJP-UHFFFAOYSA-N
- InChI
- 1S/C21H14O4S/c22-14-5-1-12(2-6-14)20(25)19-17-10-9-16(24)11-18(17)26-21(19)13-3-7-15(23)8-4-13/h1-11,22-24H
- LY2109761, Inhibitor of transforming growth factor beta receptor 1;Inhibitor of transforming growth factor beta receptor 2CAS: 700874-71-1 Formula: C26H27N5O2 Molecular Weight: 441.52Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 2mM in DMSO● In Stock — US warehouse, ships to EU* Item #: L408237View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 7-(2-morpholinoethoxy)-4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
- LY240988110mM in DMSO● In Stock — US warehouse, ships to EU* Item #: L427051View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[5-chloro-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-N-cyclopropyl-1-benzothiophene-4-carboxamide;trihydrochloride
- SMILES
- CN1CCN(CC1)CCCNC2=NC=C(C(=N2)C3=CC4=C(C=CC=C4S3)C(=O)NC5CC5)Cl.Cl.Cl.Cl
- InChIKey
- IEXCRLAGBWKVPW-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 2-(5-chloro-2-(3-(4-methylpiperazin-1-yl)propylamino)pyrimidin-4-yl)-N-cyclopropylbenzo[b]thiophene-4-carboxamide tri...
- LY2444296 (FP3FBZ)CAS: 1346133-11-6◐ .Made to order · 8–12 wks Item #: L412153View ProductPricing & Pack Sizes
Technical Identifiers
- Labetalol HCl, Adrenergic receptor antagonist10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: L423340View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride
- SMILES
- CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.Cl
- InChIKey
- WQVZLXWQESQGIF-UHFFFAOYSA-N
- InChI
- 1S/C19H24N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24);1H
- Synonyms
- Dibenzyl(2-chloroethyl)amine | LP00687 | MLS000069666 | NC00571 | NSC 290312 | Normodyne (TN) | [(dimethylamino)methy...
- Labetalone HClCAS: 96441-14-4 Formula: C19H23ClN2O3 Molecular Weight: 362.85● In Stock — US warehouse, ships to EU* Item #: L354323View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-hydroxy-5-[2-(4-phenylbutan-2-ylamino)acetyl]benzamide;hydrochloride
- SMILES
- CC(CCC1=CC=CC=C1)NCC(=O)C2=CC(=C(C=C2)O)C(=O)N.Cl
- InChIKey
- DJHFVUYXWAEVRA-UHFFFAOYSA-N
- InChI
- 1S/C19H22N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,21-22H,7-8,12H2,1H3,(H2,20,24);1H
- Synonyms
- 2-hydroxy-5-{2-[(4-phenylbutan-2-yl)amino]acetyl}benzamide hydrochloride | Labetalone (hydrochloride) | Labetalone HC...
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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.