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).
Targets & Pathways
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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
- PeimineCAS: 23496-41-5 Formula: C27H45NO3 Molecular Weight: 431.65Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%● In Stock — US warehouse, ships to EU* Item #: P110193View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,2S,6S,9S,10S,11S,14S,15S,17S,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
- SMILES
- CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(C6C5(CCC(C6)O)C)O)(C)O
- InChIKey
- IUKLSMSEHKDIIP-BZMYINFQSA-N
- InChI
- show more
- Synonyms
- 34QDF8UFSY | Wanpeinine-A | Peimine,(S) | MFCD02259442 | Verticine;Dihydroisoimperialine | Cevane-3,6,20-triol, (3bet...
- Pelitinib (EKB-569), Epidermal growth factor receptor erbB1 inhibitorMoligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: P409066View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- (E)-N-(4-(3-chloro-4-fluorophenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
- Penicillin G procaine hydrateCAS: 6130-64-9 EC Number: 612-112-2 PubChem CID: 22502 Formula: C16H18N2O4S•C113H20N2O2•H2O Molecular Weight: 588.7210mM in DMSO● In Stock — US warehouse, ships to EU* Item #: P425078View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid2-(diethyla...
- Pemetrexed disodium hydrateCAS: 357166-30-4 EC Number: 814-356-7 PubChem CID: 135564527 Formula: C20H21N5O6·5/2H2O·2Na Molecular Weight: 516.4210mM in Water● In Stock — US warehouse, ships to EU* Item #: P423607View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tetrasodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;pentahydrate
- SMILES
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- InChIKey
- ZCTCZKWJFTYNMZ-WKUCUCPSSA-J
- InChI
- show more
- Synonyms
- 357166-30-4|Pemetrexed disodium hydrate|Pemetrexed disodium hemipentahydrate|Pemetrexed disodium 2.5 hydrate|Pemetrex...
- Pemetrexed Disodium Salt HeptahydrateCAS: 357166-29-1 EC Number: 604-733-2, 639-569-0 PubChem CID: 135564751 Formula: C20H33N5Na2O13 Molecular Weight: 597.49● In Stock — US warehouse, ships to EU* Item #: P303530View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- disodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;heptahydrate
- SMILES
- C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O.[Na+].[Na+]
- InChIKey
- QJVSMHJWAOSBMD-MYXYZBIASA-L
- InChI
- show more
- Synonyms
- Alimta (TN) | N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid disod...
- PenfluridolCAS: 26864-56-2 EC Number: 248-074-5 PubChem CID: 33630 Formula: C28H27ClF5NO Molecular Weight: 523.9710mM in DMSO● In Stock — US warehouse, ships to EU* Item #: P422947View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
- SMILES
- C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
- InChIKey
- MDLAAYDRRZXJIF-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 1-(4,4-BIS(P-FLUOROPHENYL)BUTYL)-4-(4-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL)-4-PIPERIDINOL | HY-B1077 | SC...
- Pentisomide◐ .Made to order · 8–12 wks Item #: P339998View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-2-pyridin-2-ylpentanamide
- SMILES
- CC(C)CC(CCN(C(C)C)C(C)C)(C1=CC=CC=N1)C(=O)N
- InChIKey
- ZZOZYGHXNQPIPS-UHFFFAOYSA-N
- InChI
- 1S/C19H33N3O/c1-14(2)13-19(18(20)23,17-9-7-8-11-21-17)10-12-22(15(3)4)16(5)6/h7-9,11,14-16H,10,12-13H2,1-6H3,(H2,20,23)
- Synonyms
- 506T8KTW5Q | alpha-(2-(Diisopropylamino)ethyl)-alpha-isobutylpyridine-2-acetamide | AKOS030530978 | CM 7857 | Pentiso...
- Pergolide mesylate, Dopamine receptor agonistCAS: 66104-23-2 EC Number: 636-270-7 PubChem CID: 47812 Formula: C19H26N2S·CH4O3S Molecular Weight: 410.59● In Stock — US warehouse, ships to EU* Item #: P129456View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid
- SMILES
- CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O
- InChIKey
- UWCVGPLTGZWHGS-ZORIOUSZSA-N
- InChI
- show more
- Synonyms
- NC00428 | PERGOLIDE MESILATE (MART.) | Pergolide mesylate [USAN] | PERGOLIDE MESYLATE [VANDF] | Pergolide mesylate (U...
- Pergolide mesylate, Dopamine receptor agonistCAS: 66104-23-2 EC Number: 636-270-7 PubChem CID: 47812 Formula: C19H26N2S·CH4O3S Molecular Weight: 410.5910mM in DMSO● In Stock — US warehouse, ships to EU* Item #: P425327View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid
- SMILES
- CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O
- InChIKey
- UWCVGPLTGZWHGS-ZORIOUSZSA-N
- InChI
- show more
- Synonyms
- PERGOLIDE MESYLATE|66104-23-2|Permax|Pergolide Methanesulfonate|PERGOLIDE MESYLATE SALT|Pergolide mesilate|Pergolide ...
- Pentamidine isethionate, Kinetoplast DNA inhibitorCAS: 140-64-7 EC Number: 205-424-1 PubChem CID: 8813 Formula: C19H24N4O2•2C2H6O4S Molecular Weight: 592.68Liquid 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: P408808View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-[1,5-pentanediylbis(oxy)]bis[benzenecarboximidamide] (2:1)
- Pentylenetetrazole10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: P424686View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
- SMILES
- C1CCC2=NN=NN2CC1
- InChIKey
- CWRVKFFCRWGWCS-UHFFFAOYSA-N
- InChI
- 1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2
- Synonyms
- Pentetrazol|Pentylenetetrazol|PENTYLENETETRAZOLE|54-95-5|Metrazole|Cardiazol|1,5-Pentamethylenetetrazole|Cardiazole|C...
- Pepstatin10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: P422930View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
- InChIKey
- FAXGPCHRFPCXOO-LXTPJMTPSA-N
- InChI
- show more
- Synonyms
- EX-A4027 | MLS000069747 | PEPSTATIN [INN] | 4er2 | AC-8820 | KBioGR_000340 | MLS006010748 | NCGC00161670-06 | Procidi...
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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.