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
- Perindopril erbumine, Angiotensin-converting enzyme inhibitorCAS: 107133-36-8 EC Number: 600-798-6 PubChem CID: 441313 Formula: C23H43N3O5 Molecular Weight: 441.6● In Stock — US warehouse, ships to EU* Item #: P302161View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;2-methylpropan-2-amine
- SMILES
- CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O.CC(C)(C)N
- InChIKey
- IYNMDWMQHSMDDE-MHXJNQAMSA-N
- InChI
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- Synonyms
- DTXCID9024198 | PERINDOPRIL ERBUMINE [VANDF] | Erbumine, Perindopril | Perindopril t-Butylamine Salt | CCG-39035 | PE...
- Perindopril erbumine, Angiotensin-converting enzyme inhibitorCAS: 107133-36-8 EC Number: 600-798-6 PubChem CID: 441313 Formula: C23H43N3O5 Molecular Weight: 441.610mM in Water● In Stock — US warehouse, ships to EU* Item #: P420513View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;2-methylpropan-2-amine
- SMILES
- CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O.CC(C)(C)N
- InChIKey
- IYNMDWMQHSMDDE-MHXJNQAMSA-N
- InChI
- show more
- Synonyms
- DTXCID9024198 | PERINDOPRIL ERBUMINE [VANDF] | Erbumine, Perindopril | Perindopril t-Butylamine Salt | CCG-39035 | PE...
- Pentosan Polysulfate SodiumSolid● In Stock — US warehouse, ships to EU* Item #: P412987View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
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- InChIKey
- MSJQCBORNZDNDU-UHFFFAOYSA-D
- InChI
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- Synonyms
- Pentosan | decasodium;3-methoxy-6-[2-(6-methoxy-4,5-disulfonatooxyoxan-3-yl)oxy-5-[5-(5-methoxy-3,4-disulfonatooxyoxa...
- Pentoxyverine Citrate, Sigma opioid receptor agonist10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: P422741View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid
- SMILES
- CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
- InChIKey
- AKJDEXBCRLOVTH-UHFFFAOYSA-N
- InChI
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- Synonyms
- AKOS015899622 | NCGC00093760-01 | (E)-3,7-Dimethyl-2,6-octadienenitrile | A839013 | HMS2096M15 | Prestwick_748 | Tocl...
- PeriplocinCAS: 13137-64-9 EC Number: 683-188-2 PubChem CID: 14463159 Formula: C36H56O13 Molecular Weight: 696.8210mM in DMSO● In Stock — US warehouse, ships to EU* Item #: P421213View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C)OC)OC7C(C(C(C(O7)CO)O)O)O
- InChIKey
- KWBPKUMWVXUSCA-AXQDKOMKSA-N
- InChI
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- Synonyms
- Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-5,14-dihydro...
- Periplogenin10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: P424420View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O)O
- InChIKey
- QJPCKAJTLHDNCS-FBAXFMHRSA-N
- InChI
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- Synonyms
- 3-beta,5,14-Trihydroxy-5-beta-card-20(22)-enolide | Card-20(22)-enolide, 3,5,14-trihydroxy-, (3-beta,5-beta)- | Perip...
- Periplogenin● In Stock — US warehouse, ships to EU* Item #: P414349View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O)O
- InChIKey
- QJPCKAJTLHDNCS-FBAXFMHRSA-N
- InChI
- show more
- Synonyms
- 3-beta,5,14-Trihydroxy-5-beta-card-20(22)-enolide | Card-20(22)-enolide, 3,5,14-trihydroxy-, (3-beta,5-beta)- | Perip...
- Permethric acid◐ .Made to order · 8–12 wks Item #: P276140View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
- SMILES
- CC1(C(C1C(=O)O)C=C(Cl)Cl)C
- InChIKey
- LLMLSUSAKZVFOA-UHFFFAOYSA-N
- InChI
- 1S/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)
- Synonyms
- 3-(2,2-dichloro-vinyl)-2,2-dimethylcyclopropane-1-carboxylic acid | 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-1-...
- PentagalloylglucoseCAS: 14937-32-7 Formula: C41H32O26 Molecular Weight: 940.67710mM in DMSO● In Stock — US warehouse, ships to EU* Item #: P421756View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
- SMILES
- C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O
- InChIKey
- QJYNZEYHSMRWBK-NIKIMHBISA-N
- InChI
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- Synonyms
- 1,2,3,4,6-PENTA-O-GALLOYL-.BETA.-GLUCOSE | ACon1_000145 | 1,2,3,4,6-PENTAGALLOYL GLUCOSE (CONSTITUENT OF BANABA LEAF)...
- PentagalloylglucoseSolid Analytical 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 #: P115686View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
- SMILES
- C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O
- InChIKey
- QJYNZEYHSMRWBK-NIKIMHBISA-N
- InChI
- show more
- Synonyms
- 1,2,3,4,6-PENTA-O-GALLOYL-.BETA.-GLUCOSE | ACon1_000145 | 1,2,3,4,6-PENTAGALLOYL GLUCOSE (CONSTITUENT OF BANABA LEAF)...
- Pentamidine isethionate, Kinetoplast DNA inhibitorCAS: 140-64-7 EC Number: 205-424-1 PubChem CID: 8813 Formula: C19H24N4O2•2C2H6O4S Molecular Weight: 592.68Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: P288316View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
- SMILES
- C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O
- InChIKey
- YBVNFKZSMZGRAD-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- R.P. 2512 | USAF XR-10 | WR 4931 | 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethanesulfoni...
- Perazine Sulfoxide● In Stock — US warehouse, ships to EU* Item #: P356042View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine 5-oxide
- SMILES
- CN1CCN(CC1)CCCN2C3=CC=CC=C3S(=O)C4=CC=CC=C42
- InChIKey
- QGGFCTLXKUUQAT-UHFFFAOYSA-N
- InChI
- 1S/C20H25N3OS/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)25(24)20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3
- Synonyms
- DTXSID20174656 | Perazine sulfoxide | Perazine Sulphoxide | Perazine Sulphoxide 1.0 mg/ml in Methanol | J-013474 | 10...
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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.