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
24,643Navigate 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
102,641Explore 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)
19,704Find 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)
8,783Shop 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
- EHT 1864● In Stock — US warehouse, ships to EU* Item #: E286802View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(morpholin-4-ylmethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one;dihydrochloride
- SMILES
- C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl
- InChIKey
- LSECOAJFCKFQJG-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- EHT 1864 2HCl | SW220265-1 | BCP09829 | EHT1864 | EHT-1864 | 4H-Pyran-4-one, 2-(4-morpholinylmethyl)-5-((5-((7-(trifl...
- DEL 22379● In Stock — US warehouse, ships to EU* Item #: D288623View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
- SMILES
- COC1=CC2=C(C=C1)NC=C2C=C3C4=C(C=CC(=C4)NC(=O)CCN5CCCCC5)NC3=O
- InChIKey
- INQUULPXCZAKMS-XKZIYDEJSA-N
- InChI
- show more
- Synonyms
- DEL-22379
- E6 BerbamineCAS: 114784-59-7 Formula: C44H43N3O9 Molecular Weight: 757.8◐ .Made to order · 8–12 wks Item #: E275938View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC(=O)C8=CC=C(C=C8)[N+](=O)[O-])OC
- InChIKey
- PUAVTDKYTXNVBU-OIDHKYIRSA-N
- InChI
- show more
- Egg Laying Hormone (Aplysia)CAS: 117680-39-4 Formula: C190H329N59O57S Molecular Weight: 4384.17◐ .Made to order · 8–12 wks Item #: E275290View ProductPricing & Pack Sizes
Technical Identifiers
- Methyl 3-ethynylbenzoateCAS: 10602-06-9 Formula: C10H8O2 Molecular Weight: 160.172● In Stock — US warehouse, ships to EU* Item #: M302153View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 3-ethynylbenzoate
- SMILES
- COC(=O)C1=CC=CC(=C1)C#C
- InChIKey
- DDXZMLZQQWVSRX-UHFFFAOYSA-N
- InChI
- 1S/C10H8O2/c1-3-8-5-4-6-9(7-8)10(11)12-2/h1,4-7H,2H3
- Synonyms
- Benzoic acid,3-ethynyl-,methyl ester | FS-2417 | Methyl3-Ethynylbenzoate | A895906 | 3-Ethynylbenzoic acid methyl est...
- Methyl 3-hydroxy-2-methylbenzoateSolid ≥97%● In Stock — US warehouse, ships to EU* Item #: M303967View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 3-hydroxy-2-methylbenzoate
- SMILES
- CC1=C(C=CC=C1O)C(=O)OC
- InChIKey
- PJSKJGYGIBLIAS-UHFFFAOYSA-N
- InChI
- 1S/C9H10O3/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5,10H,1-2H3
- Synonyms
- SCHEMBL199162 | METHYL 3-HYDROXY-2-METHYLBENZOATE | 3-Hydroxy-2-methylbenzoic acid methyl ester; Methyl 2-methyl-3-hy...
- Cyclotetramethylenedichlorosilane● In Stock — US warehouse, ships to EU* Item #: C303163View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,1-dichlorosilolane
- SMILES
- C1CC[Si](C1)(Cl)Cl
- InChIKey
- YMXGMEIYEGUXGT-UHFFFAOYSA-N
- InChI
- 1S/C4H8Cl2Si/c5-7(6)3-1-2-4-7/h1-4H2
- Synonyms
- Cyclotetramethylenedichlorosilane|2406-33-9|1,1-Dichlorosilolane|Silacyclopentane, 1,1-dichloro-|1,1-Dichlorosilacycl...
- 8-Methyl-1,2,3,4-tetrahydroquinoline● In Stock — US warehouse, ships to EU* Item #: M344460View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 8-methyl-1,2,3,4-tetrahydroquinoline
- SMILES
- CC1=C2C(=CC=C1)CCCN2
- InChIKey
- YIIPMCFBCZKCFB-UHFFFAOYSA-N
- InChI
- 1S/C10H13N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2,4-5,11H,3,6-7H2,1H3
- Synonyms
- DTXSID50378923 | YIIPMCFBCZKCFB-UHFFFAOYSA-N | BCP26593 | STK312549 | CHEBI:194901 | SCHEMBL342322 | 8-methyl-1,2,3,4...
- Argipressin, ADH/AVP receptor agonistSolid ≥98%● In Stock — US warehouse, ships to EU* Item #: A302232View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
- InChIKey
- KBZOIRJILGZLEJ-LGYYRGKSSA-N
- InChI
- show more
- Synonyms
- UNII-Y4907O6MFD | (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hyd...
- Duloxetine Hydrochloride, Norepinephrine transporter inhibitorSolid ≥98%(HPLC)● In Stock — US warehouse, ships to EU* Item #: D123291View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride
- SMILES
- CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl
- InChIKey
- BFFSMCNJSOPUAY-LMOVPXPDSA-N
- InChI
- 1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1
- Synonyms
- DULOXETINE HYDROCHLORIDE [USP-RS] | LY-248686 HYDROCHLORIDE | DTXSID9046443 | Duloxetine.HCl, 1mg/ml in Methanol | (g...
- DL-Alanine benzyl ester 4-toluenesulfonate saltCAS: 46229-47-4 Formula: C10H13NO2•C7H8SO3 Molecular Weight: 351.42● In Stock — US warehouse, ships to EU* Item #: D351821View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- benzyl 2-aminopropanoate;4-methylbenzenesulfonic acid
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)O.CC(C(=O)OCC1=CC=CC=C1)N
- InChIKey
- NWOPHJSSBMABBD-UHFFFAOYSA-N
- InChI
- 1S/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)
- Synonyms
- Benzyl alaninate 4-methylbenzenesulfonate | benzyl 2-aminopropanoate;4-methylbenzenesulfonic acid | EINECS 255-969-4 ...
- Cynarin● In Stock — US warehouse, ships to EU* Item #: D137769View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
- SMILES
- O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(O)=O
- InChIKey
- YDDUMTOHNYZQPO-RVXRWRFUSA-N
- InChI
- show more
- Synonyms
- 1,5-Dicaffeoylquinic acid | Cyclohexanecarboxylic acid | 1,3-Dicaffeoylquinic acid | 1,5-DQA | (1R,3R,4S,5R)-1,3-Bis...
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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.