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
24,653Navigate 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
2,812PROTAC 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
102,662Explore 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)
19,717Find 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)
8,794Shop 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
- Cycloheximide-N-ethylethanoate◐ .Made to order · 8–12 wks Item #: C276001View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Ethyl2-[4-[(2R)-2-[(3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-dioxopiperidin-1-yl]acetate
- 6-Chloro-5-fluoro-2-mercaptobenzimidazoleCAS: 142313-30-2 Formula: C7H4ClFN2S Molecular Weight: 202.64● In Stock — US warehouse, ships to EU* Item #: C332788View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione
- SMILES
- C1=C2C(=CC(=C1F)Cl)NC(=S)N2
- InChIKey
- DQXCFZSRGLNXKW-UHFFFAOYSA-N
- InChI
- 1S/C7H4ClFN2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
- Synonyms
- 2-mercapto-5-chloro-6-fluoro-benzimidazole | DTXSID60361482 | MFCD00052490 | 6-Chloro-5-fluorobenzimidazole-2-thiole ...
- Urodilatin, human TFA saltCAS: 115966-23-9(free base) Formula: C145H234N52O44S3·xC2HF3O2 Molecular Weight: 3505.93(free base)● In Stock — US warehouse, ships to EU* Item #: U351245View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- ANP 95-126 TFA salt | Proatrial Natriuretic Peptide (95-126) TFA salt | laritide TFA salt | Atriopeptin TFA salt | An...
- VKGILS-NH2 TFA saltCAS: 942413-05-0 PubChem CID: 90488839 Formula: C28H54N8O7• XCF3COOH Molecular Weight: 614.79（free basis）● In Stock — US warehouse, ships to EU* Item #: V286629View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)N)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(C(C)C)N
- InChIKey
- IYJUKRSADJIIBX-WAUHAFJUSA-N
- InChI
- show more
- Luffariellolide◐ .Made to order · 8–12 wks Item #: L274847View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,7-dienyl]-2-hydroxy-2H-furan-5-one
- SMILES
- CC1=C(C(CCC1)(C)C)CCC(=CCCC(=CCCC2=CC(=O)OC2O)C)C
- InChIKey
- JPWPYTMXSXYUPG-QZPYEDBESA-N
- InChI
- 1S/C25H38O3/c1-18(11-7-13-21-17-23(26)28-24(21)27)9-6-10-19(2)14-15-22-20(3)12-8-16-25(22,4)5/h10-11,17,24,27H,6-9,12-16H2,1-5H3/b18-11+,19-10+
- Synonyms
- BDBM50478547 | SMP2_000178 | AKOS025294086 | CHEBI:181926 | J-002531 | Luffariellolide | 3-[(3E,7E)-4,8-dimethyl-10-(...
- Luisol A◐ .Made to order · 8–12 wks Item #: L276072View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1S,2R,9S,10R,11S,13R)-2,7,9,10-tetrahydroxy-11-methyl-12,16-dioxatetracyclo[11.3.1.01,10.03,8]heptadeca-3(8),4,6-trien-15-one
- SMILES
- CC1C2(C(C3=C(C=CC=C3O)C(C24CC(O1)CC(=O)O4)O)O)O
- InChIKey
- YAYLZJMYAWCSFK-MAHXAKIKSA-N
- InChI
- 1S/C16H18O7/c1-7-16(21)14(20)12-9(3-2-4-10(12)17)13(19)15(16)6-8(22-7)5-11(18)23-15/h2-4,7-8,13-14,17,19-21H,5-6H2,1H3/t7-,8-,13+,14-,15-,16-/m0/s1
- Synonyms
- DTXSID601100859 | rel-(-)-(4R,6S,6aR,7S,12R,12aS)-3,4,6,6a,7,12-Hexahydro-6a,7,8,12-tetrahydroxy-6-methyl-4,12a-metha...
- CART (55-102) (human)◐ .Made to order · 8–12 wks Item #: C287093View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
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- InChIKey
- UFCZAYAPDLTVKI-UHFFFAOYSA-N
- InChI
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- Colivelin TFACAS: 867021-83-8(free base) Formula: C119H206N32O35.xC2HF3O2 Molecular Weight: 2645.13(free base)● In Stock — US warehouse, ships to EU* Item #: C287769View ProductPricing & Pack Sizes
Technical Identifiers
- MK-8745CAS: 885325-71-3 Formula: C20H19ClFN5OS Molecular Weight: 431.91● In Stock — US warehouse, ships to EU* Item #: M333437View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]piperazin-1-yl]methanone
- SMILES
- C1CN(CCN1CC2=NC(=CC=C2)NC3=NC=CS3)C(=O)C4=C(C(=CC=C4)Cl)F
- InChIKey
- YCRFPWKUUNKNDN-UHFFFAOYSA-N
- InChI
- 1S/C20H19ClFN5OS/c21-16-5-2-4-15(18(16)22)19(28)27-10-8-26(9-11-27)13-14-3-1-6-17(24-14)25-20-23-7-12-29-20/h1-7,12H,8-11,13H2,(H,23,24,25)
- Synonyms
- (3-Chloro-2-fluorophenyl)[4-[[6-(2-thiazolylamino)-2-pyridinyl]methyl]-1-piperazinyl]-methanone | 1-(3-Chloro-2-fluor...
- Adenosine-5′-¹³CCAS: 54447-57-3 Formula: C913CH13N5O4 Molecular Weight: 268.24◐ .Made to order · 8–12 wks Item #: A353789View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)oxolane-3,4-diol
- SMILES
- C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
- InChIKey
- OIRDTQYFTABQOQ-XUZOCFOZSA-N
- InChI
- 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1/i1+1
- Allyl perfluoro-n-nonanoateCAS: 117374-33-1 Formula: C12H5F17O2 Molecular Weight: 504.15● In Stock — US warehouse, ships to EU* Item #: A354242View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- prop-2-enyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
- SMILES
- C=CCOC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
- InChIKey
- DCARDCAPXKDJAG-UHFFFAOYSA-N
- InChI
- 1S/C12H5F17O2/c1-2-3-31-4(30)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H,1,3H2
- Synonyms
- ALLYL PERFLUORONONANOATE 97% | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid prop-2-enyl ester | AKO...
- Madecassic acidCAS: 18449-41-7 Formula: C30H48O6 Molecular Weight: 504.71Solid Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%◐ .Made to order · 8–12 wks Item #: M110189View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)O
- InChIKey
- PRAUVHZJPXOEIF-AOLYGAPISA-N
- InChI
- show more
- Synonyms
- Madecassic acid | ORISTRACT MDA | Brahmic acid | 6beta-hydroxyasiatic acid | UNII-M7O1N24J82 | CHEBI:73058
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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.