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
24,672Navigate 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
102,686Explore 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)
19,733Find 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)
8,799Shop 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
- Lignan PSolid ≥97%● In Stock — US Item #: L353964View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C(C(O6)CO)O)O)O
- InChIKey
- FOVRGQUEGRCWPD-BRLGUANISA-N
- InChI
- show more
- Synonyms
- Glucopyranoside, 4'-demethylepipodophyllotoxin, beta-D- | 4'-DEMETHYLEPIPODOPHYLLOTOXIN .BETA.-D-GLUCOPYRANOSIDE | 4'...
- Levomefolate calciumCAS: 151533-22-1 Formula: C20H23CaN7O6 Molecular Weight: 497.52● In Stock — US Item #: L302964View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- calcium;(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate
- SMILES
- CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ca+2]
- InChIKey
- VWBBRFHSPXRJQD-QNTKWALQSA-L
- InChI
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- Synonyms
- CALCIUM L-5-METHYLTETRAHYDROFOLATE [DSC] | Rhenium, wire reel, 0.2m, diameter 0.076mm, annealed, 99.97% | BAY86-7660 ...
- N2,N2-Dimethylguanosine● In Stock — US Item #: N303041View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(dimethylamino)-1H-purin-6-one
- SMILES
- CN(C)C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O
- InChIKey
- RSPURTUNRHNVGF-IOSLPCCCSA-N
- InChI
- 1S/C12H17N5O5/c1-16(2)12-14-9-6(10(21)15-12)13-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,14,15,21)/t5-,7-,8-,11-/m1/s1
- Synonyms
- MFCD00057049 | 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(dimethylamino)-6,9-dihydro-1H-purin-6-...
- GANT58CAS: 64048-12-0 Formula: C24H16N4S Molecular Weight: 392.48● In Stock — US Item #: G275375View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(2,4,5-tripyridin-4-ylthiophen-3-yl)pyridine
- SMILES
- C1=CN=CC=C1C2=C(SC(=C2C3=CC=NC=C3)C4=CC=NC=C4)C5=CC=NC=C5
- InChIKey
- USWLOKMMUTWFMD-UHFFFAOYSA-N
- InChI
- 1S/C24H16N4S/c1-9-25-10-2-17(1)21-22(18-3-11-26-12-4-18)24(20-7-15-28-16-8-20)29-23(21)19-5-13-27-14-6-19/h1-16H
- Synonyms
- 2,3,4,5-TETRA-(4-PYRIDYL)THIOPHENE | 2,3,4,5-tetra-(4-pyridyl)-thiophene | 2,3,4,5-tetra(4-pyridyl)thiophene | CHEBI:...
- GW441756CAS: 504433-23-2 Formula: C17H13N3O Molecular Weight: 275.3● In Stock — US Item #: G129825View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3Z)-3-[(1-methylindol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
- SMILES
- CN1C=C(C2=CC=CC=C21)C=C3C4=C(C=CC=N4)NC3=O
- InChIKey
- NXNQLECPAXXYTR-LCYFTJDESA-N
- InChI
- 1S/C17H13N3O/c1-20-10-11(12-5-2-3-7-15(12)20)9-13-16-14(19-17(13)21)6-4-8-18-16/h2-10H,1H3,(H,19,21)/b13-9-
- Synonyms
- GW441756 hydrochloride | 3-(1-Methyl-1H-indol-3-ylmethylene)-1,3-dihydro-pyrrolo[3,2-b]pyridin-2-one | BRD-K04146668-...
- GW4869Solid ≥97%● In Stock — US Item #: G340097View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)C=CC(=O)NC4=CC=C(C=C4)C5=NCCN5.Cl.Cl
- InChIKey
- NSFKAZDTKIKLKT-CLEIDKRQSA-N
- InChI
- show more
- Synonyms
- GW4869 also known as N-SMase Inhibitor | GW-4869 | GW 4869 | Sphingomyelinase | Inhibitor GW4869 | 4',4''-Di-2-imidaz...
- NGB 2904 (hydrochloride)◐ .Made to order · 8–12 wks Item #: N287046View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide;hydrochloride
- SMILES
- C1CN(CCN1CCCCNC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3)C5=C(C(=CC=C5)Cl)Cl.Cl
- InChIKey
- PFIWYJNBKGCVFM-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- NGB2904 | N-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butyl]-9H-fluorene-2-carboxamide | DTXSID00940417 | N-(4-(4-(2,3...
- NGI 1CAS: 790702-57-7 Formula: C17H22N4O3S2 Molecular Weight: 394.51● In Stock — US Item #: N288435View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
- SMILES
- CC1=CN=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3
- InChIKey
- QPKGRLIYJGBKJL-UHFFFAOYSA-N
- InChI
- 1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22)
- Synonyms
- 5-[(Dimethylamino)sulfonyl]-N-(5-methyl-2-thiazolyl)-2-(1-pyrrolidinyl)benzamide | NCGC00351072-01 | KSC-367-096-1 | ...
- LevcromakalimCAS: 94535-50-9 Formula: C16H18N2O3 Molecular Weight: 286.33◐ .Made to order · 8–12 wks Item #: L275616View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile
- SMILES
- CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)C
- InChIKey
- TVZCRIROJQEVOT-CABCVRRESA-N
- InChI
- 1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m1/s1
- Synonyms
- 1-((3S,4R)-6-Ethynyl-3-hydroxy-2,2-dimethyl-chroman-4-yl)-pyrrolidin-2-one | 2-Methyl-4-pentanone oxime | BRN 3622889...
- FurafyllineCAS: 80288-49-9 Formula: C12H12N4O3 Molecular Weight: 260.25Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%● In Stock — US Item #: F276109View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(furan-2-ylmethyl)-1,8-dimethyl-7H-purine-2,6-dione
- SMILES
- CC1=NC2=C(N1)C(=O)N(C(=O)N2CC3=CC=CO3)C
- InChIKey
- KGQZGCIVHYLPBH-UHFFFAOYSA-N
- InChI
- 1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14)
- Synonyms
- EU-0100538 | Furafylline [INN] | UNII-C2087G0XX3 | MFCD00153799 | NCGC00015426-14 | NCGC00093927-03 | CHEBI:165840 | ...
- Levofloxacin hydrochlorideCAS: 177325-13-2 Formula: C18H21ClFN3O4 Molecular Weight: 397.83● In Stock — US Item #: L305201View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.Cl
- InChIKey
- CAOOISJXWZMLBN-PPHPATTJSA-N
- InChI
- 1S/C18H20FN3O4.ClH/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H/t10-;/m0./s1
- Synonyms
- Weilisu | Levofloxacin (hydrochloride) | (S)-9-Fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2H-[1,4]...
- Zatebradine hydrochloride● In Stock — US Item #: Z287734View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
- SMILES
- CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CC(=C(C=C3)OC)OC.Cl
- InChIKey
- ZRNKXJHEQKMWCH-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one hydrochloride ...
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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.