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
- Magnesium ionophore IICAS: 119110-37-1 Formula: C32H62N4O4 Molecular Weight: 566.86for ion-selective electrodes● In Stock — US warehouse, ships to EU* Item #: M346790View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-heptyl-N'-[8-[[3-[heptyl(methyl)amino]-2-methyl-3-oxopropanoyl]amino]octyl]-N,2-dimethylpropanediamide
- SMILES
- CCCCCCCN(C)C(=O)C(C)C(=O)NCCCCCCCCNC(=O)C(C)C(=O)N(C)CCCCCCC
- InChIKey
- UTFJQHTUZRJEKD-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- SCHEMBL7263809 | ETH5214 | Eth-5214 | DTXSID20922871 | Eth 5214 | N,N'-(Octane-1,8-diyl)bis{2-[heptyl(methyl)carbamoy...
- Magnoflorine chlorideCAS: 6681-18-1 Formula: C20H24ClNO4 Molecular Weight: 377.8610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M425369View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol;chloride
- SMILES
- C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C.[Cl-]
- InChIKey
- STVJLBTYWBXDBP-ZOWNYOTGSA-N
- InChI
- 1S/C20H23NO4.ClH/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18;/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23);1H/t13-;/m0./s1
- Synonyms
- MS-26159 | (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol;chloride | ...
- MagnolinCAS: 31008-18-1 Formula: C23H28O7 Molecular Weight: 416.4610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M423201View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
- SMILES
- COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC)OC
- InChIKey
- MFIHSKBTNZNJIK-RZTYQLBFSA-N
- InChI
- show more
- Synonyms
- UNII-95DA2NWV8P | (1S,3AR,4S,6AR)-1-(3,4-DIMETHOXYPHENYL)-4-(3,4,5-TRIMETHOXYPHENYL)-HEXAHYDROFURO(3,4-C)FURAN | Polo...
- Magnolol10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M407956View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- NSC 293099 | [1,1'-Biphenyl]-2,2'-diol, 5,5'-di-2-propen-1-yl-
- Mal-PEG2-NHS esterCAS: 1433997-01-3 Formula: C15H18N2O8 Molecular Weight: 354.31◐ .Made to order · 8–12 wks Item #: M412495View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate
- SMILES
- C1CC(=O)N(C1=O)OC(=O)CCOCCOCCN2C(=O)C=CC2=O
- InChIKey
- KMEJZQCDHANYJV-UHFFFAOYSA-N
- InChI
- 1S/C15H18N2O8/c18-11-1-2-12(19)16(11)6-8-24-10-9-23-7-5-15(22)25-17-13(20)3-4-14(17)21/h1-2H,3-10H2
- Synonyms
- C70364 | SY034983 | AKOS027256652 | MFCD24539465 | LCZC2668 | Mal-PEG2-NHS ester | HY-126504 | 1433997-01-3 | SCHEMBL...
- Mal-PEG3-NHS esterCAS: 1537892-36-6 Formula: C17H22N2O9 Molecular Weight: 398.4◐ .Made to order · 8–12 wks Item #: M412459View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate
- SMILES
- C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCN2C(=O)C=CC2=O
- InChIKey
- IIXXEVQHRSMNOB-UHFFFAOYSA-N
- InChI
- 1S/C17H22N2O9/c20-13-1-2-14(21)18(13)6-8-26-10-12-27-11-9-25-7-5-17(24)28-19-15(22)3-4-16(19)23/h1-2H,3-12H2
- MalotilateCAS: 59937-28-9 Formula: C12H16O4S2 Molecular Weight: 288.3810mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M408468View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- NKK105 | diisopropyl 2-(1,3-dithiol-2-ylidene)malonate
- Mal-PEG4-NHS esterCAS: 1325208-25-0 Formula: C19H26N2O10 Molecular Weight: 442.4210mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M421246View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
- SMILES
- C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCN2C(=O)C=CC2=O
- InChIKey
- TUPOSLKVPPFQGR-UHFFFAOYSA-N
- InChI
- 1S/C19H26N2O10/c22-15-1-2-16(23)20(15)6-8-28-10-12-30-14-13-29-11-9-27-7-5-19(26)31-21-17(24)3-4-18(21)25/h1-2H,3-14H2
- Mal-amido-PEG2-C2-acidCAS: 756525-98-1 Formula: C14H20N2O7 Molecular Weight: 328.32● In Stock — US warehouse, ships to EU* Item #: M412707View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid
- SMILES
- C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCC(=O)O
- InChIKey
- GBPJQBDDYXDSNH-UHFFFAOYSA-N
- InChI
- 1S/C14H20N2O7/c17-11(3-6-16-12(18)1-2-13(16)19)15-5-8-23-10-9-22-7-4-14(20)21/h1-2H,3-10H2,(H,15,17)(H,20,21)
- Synonyms
- AKOS030213484 | MFCD11041136 | 3-[2-[2-[[3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethoxy]ethoxy]pro...
- Malachite Green, Oxalate10mM in Water● In Stock — US warehouse, ships to EU* Item #: M422821View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;2-hydroxy-2-oxoacetate;oxalic acid
- SMILES
- show more
- InChIKey
- CNYGFPPAGUCRIC-UHFFFAOYSA-L
- InChI
- show more
- Synonyms
- Malachite Green Oxalate|2437-29-8|Basic Green 4|13425-25-7|Malachite Green oxalate salt|GY1H9O33VU|DTXSID6025513|Mala...
- ManninotrioseCAS: 13382-86-0 Formula: C18H32O16 Molecular Weight: 504.4410mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M421280View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(C(C(C(C=O)O)O)O)O)O)O)O)O)O)O)O
- InChIKey
- FZWBNHMXJMCXLU-YRBKNLIBSA-N
- InChI
- show more
- Synonyms
- CCG-269724 | (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5R,6R)-3,4,5-tri...
- ManoalideCAS: 75088-80-1 Formula: C25H36O5 Molecular Weight: 416.55◐ .Made to order · 8–12 wks Item #: M275478View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-2-hydroxy-3-[(2R,6R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one
- SMILES
- CC1=C(C(CCC1)(C)C)CCC(=CCCC2=CCC(OC2O)C3=CC(=O)OC3O)C
- InChIKey
- FGJIDQWRRLDGDB-CPIXEKRISA-N
- InChI
- show more
- Synonyms
- 2(5H)-Furanone, 4-((2R,6R)-3,6-dihydro-6-hydroxy-5-((3E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-hexenyl)-2H...
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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.