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
- DK-AH 269CAS: 186097-54-1 Formula: C28H39ClN2O5 Molecular Weight: 519.07● In Stock — US warehouse, ships to EU* Item #: D350697View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
- SMILES
- COC1=C(C=C(C=C1)CCN2CCCC(C2)CN3CCC4=CC(=C(C=C4CC3=O)OC)OC)OC.Cl
- InChIKey
- MTAKUIYCCYKGJJ-BOXHHOBZSA-N
- InChI
- show more
- Synonyms
- HY-18940A | DTXSID10582024 | DK-AH 269 | 3-[[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethox...
- DamascenoneLiquid ≥98%● In Stock — US warehouse, ships to EU* Item #: D139899View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
- SMILES
- CC=CC(=O)C1=C(C=CCC1(C)C)C
- InChIKey
- POIARNZEYGURDG-FNORWQNLSA-N
- InChI
- 1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+
- Synonyms
- 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one; 1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one; 1-Cr...
- Danshensu● In Stock — US warehouse, ships to EU* Item #: D342155View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid
- SMILES
- C1=CC(=C(C=C1CC(C(=O)O)O)O)O
- InChIKey
- PAFLSMZLRSPALU-MRVPVSSYSA-N
- InChI
- 1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)/t8-/m1/s1
- Synonyms
- CCG-266569 | Dan shen suan A;Salvianic acid A | Salianic acid A | A865407 | AKOS006328573 | AS-67314 | Salvianic acid...
- Desethylamiodarone hydrochlorideSolid ≥98%● In Stock — US warehouse, ships to EU* Item #: D345257View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2-butyl-1-benzofuran-3-yl)-[4-[2-(ethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride
- SMILES
- CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCNCC)I.Cl
- InChIKey
- OCQPMJVGWGJLLG-UHFFFAOYSA-N
- InChI
- 1S/C23H25I2NO3.ClH/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2;/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3;1H
- Synonyms
- N-desethylamiodarone hydrochloride | (2-butylbenzofuran-3-yl)(4-(2-(ethylamino)ethoxy)-3,5-diiodophenyl)methanone hyd...
- DiaveridineAnalytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.● In Stock — US warehouse, ships to EU* Item #: D135965View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
- SMILES
- COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC
- InChIKey
- LDBTVAXGKYIFHO-UHFFFAOYSA-N
- InChI
- 1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
- Synonyms
- CCG-213021 | 2, 5-[(3,4-dimethoxyphenyl)methyl]- | Diaveridina | EN300-7440332 | 5-[(3,4-dimethoxyphenyl)methyl]pyrim...
- DiclazurilSolid ≥98%● In Stock — US warehouse, ships to EU* Item #: D420097View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile
- SMILES
- C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl
- InChIKey
- ZSZFUDFOPOMEET-UHFFFAOYSA-N
- InChI
- 1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)
- Synonyms
- CAS-101831-37-2 | NSC 759642 | DICLAZURIL (MART.) | HMS3715D21 | Nuoqiu | (4-chlorophenyl)[2,6-dichloro-4-(3,5-dioxo-...
- DidyminAnalytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥95%(HPLC)● In Stock — US warehouse, ships to EU* Item #: D138216View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O
- InChIKey
- RMCRQBAILCLJGU-HIBKWJPLSA-N
- InChI
- show more
- Synonyms
- AKOS016010158 | 4H-1-BENZOPYRAN-4-ONE, 7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,3-DI...
- Diphemanil Methylsulfate, Muscarinic acetylcholine receptor M1 antagonistCAS: 62-97-5 Formula: C₂₁H₂₇NO₄OS Molecular Weight: 405.51● In Stock — US warehouse, ships to EU* Item #: D404300View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium;methyl sulfate
- SMILES
- C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-]
- InChIKey
- BREMLQBSKCSNNH-UHFFFAOYSA-M
- InChI
- 1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
- Synonyms
- Metilsulfate de diphemanil | SMR001233482 | 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium;methyl sulfate | AKOS026749...
- Dolasetron Mesylate Monohydrate, Serotonin 3a (5-HT3a) receptor antagonistCAS: 878143-33-0 Formula: C19H20N2O3•CH4O3S•H2O Molecular Weight: 438.5◐ .Made to order · 8–12 wks Item #: D404261View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methanesulfonic acid;[(3S,7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate;hydrate
- SMILES
- CS(=O)(=O)O.C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54.O
- InChIKey
- QTFFGPOXNNGTGZ-RCSCTSIBSA-N
- InChI
- show more
- Synonyms
- BAA87881 | Dalasetron (Mesylate hydrate) | rel-(5s,6R,8r,9aS)-3-Oxooctahydro-1H-2,6-methanoquinolizin-8-yl 1H-indole-...
- Eltoprazine Dihydrochloride● In Stock — US warehouse, ships to EU* Item #: E404437View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;dihydrochloride
- SMILES
- C1CN(CCN1)C2=C3C(=CC=C2)OCCO3.Cl.Cl
- InChIKey
- UNRJDVNCYJTPOQ-UHFFFAOYSA-N
- InChI
- 1S/C12H16N2O2.2ClH/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12;;/h1-3,13H,4-9H2;2*1H
- Synonyms
- 1-(2,3-Dihydro-1,4-benzodioxin-5-yl)piperazine Dihydrochloride
- Ecabet Sodium HydrateCAS: 219773-47-4 Formula: C20H27NaO5S•5H2O Molecular Weight: 492.56● In Stock — US warehouse, ships to EU* Item #: E404400View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;(4bS,8R,8aR)-8-carboxy-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonate;pentahydrate
- SMILES
- CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)S(=O)(=O)[O-].O.O.O.O.O.[Na+]
- InChIKey
- OWUMMAIYWPECON-HITVYADUSA-M
- InChI
- show more
- Synonyms
- Ecabet sodium pentahydrate | DTXSID00176390 | ECABET SODIUM PENTAHYDRATE [WHO-DD] | Ecabetsodiumpentahydrate | 1-Phen...
- EprinomectinCAS: 123997-26-2 PubChem CID: 254759630 Formula: B1a：C50H75NO14（R=C2H5 ） B1b：C49H73NO14（ R=CH3 ） Molecular Weight: B1a：914.14 ;B1b：900.11Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.◐ .Made to order · 8–12 wks Item #: E135531View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Eprinex | (4′’R)-4″-(Acetylamino)-4″-deoxy-avermectin B1
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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.