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
2,814PROTAC 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
102,664Explore 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)
8,793Shop 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
- Betahistine Methanesulfonate● In Stock — US Item #: B152161View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine
- SMILES
- CNCCC1=CC=CC=N1.CS(=O)(=O)O.CS(=O)(=O)O
- InChIKey
- ZBJJDYGJCNTNTH-UHFFFAOYSA-N
- InChI
- 1S/C8H12N2.2CH4O3S/c1-9-7-5-8-4-2-3-6-10-8;2*1-5(2,3)4/h2-4,6,9H,5,7H2,1H3;2*1H3,(H,2,3,4)
- Synonyms
- 1-naphthalene sulfonyl chloride | BETAHISTINE MESILATE [WHO-DD] | Tenyl | methanesulfonic acid;N-methyl-2-pyridin-2-y...
- 6-Amino-5-nitroso-3-methyluracil◐ .Made to order · 8–12 wks Item #: A275311View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
- SMILES
- CN1C(=O)C(=C(NC1=O)N)N=O
- InChIKey
- GUDXLMQIDACJSU-UHFFFAOYSA-N
- InChI
- 1S/C5H6N4O3/c1-9-4(10)2(8-12)3(6)7-5(9)11/h6H2,1H3,(H,7,11)
- Synonyms
- 6-amino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione | SCHEMBL1946777 | 6-Amino-5-nitroso-3-methyluracil | EN300-160414...
- Meglumine diatrizoate, Diagnostic agentCAS: 131-49-7 EC Number: 205-024-7 PubChem CID: 8566 Formula: C7H17NO5 · C11H9I3N2O4 Molecular Weight: 809.13Solid 47.1% iodine● In Stock — US Item #: M302368View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,5-diacetamido-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
- SMILES
- CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.CNCC(C(C(C(CO)O)O)O)O
- InChIKey
- MIKKOBKEXMRYFQ-WZTVWXICSA-N
- InChI
- show more
- Synonyms
- Reno-M-Dip | Urovist | Urovist Cysto Pediatric | UNII-3X9MR4N98U | Cystografin Dilute | Urovist Meglumine Diu/ct | 13...
- D,L-Buthionine-(S,R)-sulfoximineSolid ≥98%● In Stock — US Item #: D275570View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-4-(butylsulfonimidoyl)butanoic acid
- SMILES
- CCCCS(=N)(=O)CCC(C(=O)O)N
- InChIKey
- KJQFBVYMGADDTQ-UHFFFAOYSA-N
- InChI
- 1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)
- Synonyms
- NCGC00093696-01 | DTXSID6044434 | LW4108Q0BV | B 2640 | BCP27775 | 2-Amino-4-(butylsulfonimidoyl)butanoicacid | NCGC0...
- NortadalafilCAS: 171596-36-4 Formula: C21H17N3O4 Molecular Weight: 375.38● In Stock — US Item #: N125764View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,8R)-2-(1,3-benzodioxol-5-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
- SMILES
- C1C2C(=O)NCC(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6
- InChIKey
- XHDLVMPUSXRZOS-FOIQADDNSA-N
- InChI
- show more
- Synonyms
- m-Toluric Acid-d7 | Q27262952 | (+)-Nortadalafil | (6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazin...
- Mefexamide hydrochlorideCAS: 1227-61-8 Formula: C15H24N2O3·HCl Molecular Weight: 316.82◐ .Made to order · 8–12 wks Item #: M302661View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-(diethylamino)ethyl]-2-(4-methoxyphenoxy)acetamide
- SMILES
- CCN(CC)CCNC(=O)COC1=CC=C(C=C1)OC
- InChIKey
- HUNIPYLVUPMFCZ-UHFFFAOYSA-N
- InChI
- 1S/C15H24N2O3/c1-4-17(5-2)11-10-16-15(18)12-20-14-8-6-13(19-3)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
- Synonyms
- mefexamide|Timodyne|1227-61-8|Mefexadyne|Mefaxadyne|N-[2-(diethylamino)ethyl]-2-(4-methoxyphenoxy)acetamide|Acetamide...
- NomilinCAS: 1063-77-0 Formula: C28H34O9 Molecular Weight: 514.56Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%● In Stock — US Item #: N115725View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(=O)OC1CC(=O)OC(C2C1(C3CCC4(C(OC(=O)C5C4(C3(C(=O)C2)C)O5)C6=COC=C6)C)C)(C)C
- InChIKey
- KPDOJFFZKAUIOE-WNGDLQANSA-N
- InChI
- show more
- Synonyms
- CHEBI:7609 | NSC 297134 | AI3-00994 | (1S,3AS,4AR,4BR,6AR,11S,11AR,11BR,13AS)-11-(ACETYLOXY)-1-(3-FURANYL)DECAHYDRO-4...
- Harmine HydrochlorideAnalytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%● In Stock — US Item #: H115850View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;hydrochloride
- SMILES
- CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC.Cl
- InChIKey
- VNPLYCKZIUTKJM-UHFFFAOYSA-N
- InChI
- 1S/C13H12N2O.ClH/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;/h3-7,15H,1-2H3;1H
- Synonyms
- AC-34980 | Banisterine Hydrochloride | A-8200 | 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;hydrochloride | DTXCID10683...
- Caspase-8 inhibitor IICAS: 210344-98-2 Formula: C30H43FN4O11 Molecular Weight: 654.68◐ .Made to order · 8–12 wks Item #: C344005View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CCC(C)C(C(=O)NC(CCC(=O)OC)C(=O)NC(C(C)O)C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)OCC1=CC=CC=C1
- InChIKey
- PHLCQASLWHYEMX-DEKIMQJDSA-N
- InChI
- show more
- Synonyms
- Z-Ile-Glu(O-ME)-Thr-Asp(O-Me) fluoromethyl ketone | Z-IETD-FMK
- Gp 1aCAS: 511532-96-0 Formula: C23H22Cl2N4O Molecular Weight: 441.35● In Stock — US Item #: G275213View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[1,2-c]pyrazole-3-carboxamide
- SMILES
- CC1=CC2=C(C=C1)C3=C(C2)C(=NN3C4=C(C=C(C=C4)Cl)Cl)C(=O)NN5CCCCC5
- InChIKey
- FNOMTMVRTBHRET-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- N-(Piperidin-1-yl)-1-(2,4-dichlorophenyl)-1,4-dihydro-6-methylindeno[1,2-c]pyrazole-3-carboxamide
- GracillinCAS: 19083-00-2 Formula: C45H72O17 Molecular Weight: 885.04◐ .Made to order · 8–12 wks Item #: G305282View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1
- InChIKey
- YQEMAEKYNNOCBY-IEMDQPGHSA-N
- InChI
- show more
- Synonyms
- Gracillin | AKOS032962645 | Q1541130 | CCG-270556 | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-...
- PiperlonguminineCAS: 5950-12-9 Formula: C16H19NO3● In Stock — US Item #: P275830View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- N-Isobutylpiperamide | N-Isobutylpiperamide | NSC 125178 | 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-2E,4E-pentadie...
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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.