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
- Acetylsalicylic Acid-d3Solid BioReagent ? BioReagent grade — tested suitable for life-science and molecular-biology use. Use for cell culture, assays, and biochemical work needing biological compatibility. ≥98%,≥98 atom% D◐ .Made to order · 8–12 wks Item #: A304976View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(2,2,2-trideuterioacetyl)oxybenzoic acid
- SMILES
- CC(=O)OC1=CC=CC=C1C(=O)O
- InChIKey
- BSYNRYMUTXBXSQ-FIBGUPNXSA-N
- InChI
- 1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i1D3
- Synonyms
- 2-(2,2,2-trideuterioacetyl)oxybenzoic acid | Trideuteriomethylaspirin | Acetylsalicylic Acid;ASA | MS-22975 | 2-(Acet...
- Acid Violet 3◐ .Made to order · 8–12 wks Item #: A305130View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- disodium;3-[(4-aminophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate
- SMILES
- C1=CC(=CC=C1N)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])O)O.[Na+].[Na+]
- InChIKey
- BBWPEJUNPNPWJI-UHFFFAOYSA-L
- InChI
- show more
- Synonyms
- Acid Leather Violet 4BS | Victoria Violet 7BS | Acilan Violet 4BS | o-PHTHALODINITRILE, TETRACHLORO- | Erio Violet B ...
- Acetylcholine iodide10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A422713View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-acetyloxyethyl(trimethyl)azanium;iodide
- SMILES
- CC(=O)OCC[N+](C)(C)C.[I-]
- InChIKey
- SMBBQHHYSLHDHF-UHFFFAOYSA-M
- InChI
- 1S/C7H16NO2.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
- Synonyms
- ACh | [2-(acetyloxy)ethyl]trimethylazanium iodide | EINECS 218-862-3 | Acetylholine iodide | Choline acetate (ester),...
- Acetylsalicylic Acid-d4CAS: 97781-16-3 Formula: C9H4D4O4 Molecular Weight: 184.18◐ .Made to order · 8–12 wks Item #: A336999View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-acetyloxy-3,4,5,6-tetradeuteriobenzoic acid
- SMILES
- CC(=O)OC1=CC=CC=C1C(=O)O
- InChIKey
- BSYNRYMUTXBXSQ-QFFDRWTDSA-N
- InChI
- 1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i2D,3D,4D,5D
- Synonyms
- Aspirin-d4 | 2-Acetoxybenzoic-3,4,5,6-d4 Acid | Aspro-d4 | Angettes-d4 | Acylpyrin-d4
- AcetylshikoninCAS: 24502-78-1 Formula: C18H18O6 Molecular Weight: 330.33Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%● In Stock — US warehouse, ships to EU* Item #: A414376View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate
- SMILES
- CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C)C
- InChIKey
- WNFXUXZJJKTDOZ-OAHLLOKOSA-N
- InChI
- 1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3/t15-/m1/s1
- Synonyms
- Shikonin, acetyl | AC-20169 | Acetylshikonin | AC-35023 | acetyl shikonin | DTXSID901317360 | AKOS015965847 | Q-10031...
- AcetylshikoninCAS: 24502-78-1 Formula: C18H18O6 Molecular Weight: 330.33Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 2mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A422831View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate
- SMILES
- CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C)C
- InChIKey
- WNFXUXZJJKTDOZ-OAHLLOKOSA-N
- InChI
- 1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3/t15-/m1/s1
- Synonyms
- Shikonin, acetyl | AC-20169 | Acetylshikonin | AC-35023 | acetyl shikonin | DTXSID901317360 | AKOS015965847 | Q-10031...
- Aciclovir (BW 248U), Human herpesvirus 1 DNA polymerase 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 #: A407837View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Acyclovir, Acycloguanosine, Zovirax, ACV, NSC 645011 | 2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6H-p...
- Acetylacetone cobalt(II) dihydrateCAS: 67378-21-6 Formula: Co(C5H7O2)2·2H2O Molecular Weight: 293.18Solid ≥98%● In Stock — Germany Item #: A353927View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- cobalt(2+);pentane-2,4-dione;dihydrate
- SMILES
- CC(=O)CC(=O)C.O.O.[Co+2]
- InChIKey
- FKZIARPQPKODHT-UHFFFAOYSA-N
- InChI
- 1S/C5H8O2.Co.2H2O/c1-4(6)3-5(2)7;;;/h3H2,1-2H3;;2*1H2/q;+2;;
- Synonyms
- Bis(2,4-pentanedionato)-Cobalt dihydrate | Acetylacetone Cobalt(II) Salt Dihydrate | Cobalt(II) Acetylacetonate Dihyd...
- Acetylcholine chloride（ACh）10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A425009View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-acetyloxyethyl(trimethyl)azanium;chloride
- SMILES
- CC(=O)OCC[N+](C)(C)C.[Cl-]
- InChIKey
- JUGOREOARAHOCO-UHFFFAOYSA-M
- InChI
- 1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
- Synonyms
- ACETYLCHOLINE CHLORIDE|60-31-1|Miochol|Acecoline|Acecholin|ACH chloride|Chloroacetylcholine|Arterocoline|Ovisot|Azety...
- Acitretin, Retinoid receptor agonistMoligand™ ? 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 #: A408623View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Etretin, RO 10-1670 | (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
- Acrivastine, Histamine H1 receptor antagonist10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A426640View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridin-2-yl]prop-2-enoic acid
- SMILES
- CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC(=N3)C=CC(=O)O
- InChIKey
- PWACSDKDOHSSQD-IUTFFREVSA-N
- InChI
- 1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+
- Synonyms
- AKOS005067182 | BW270C | Tox21_113015 | A916142 | PWACSDKDOHSSQD-IUTFFREVSA-N | 2-Propenoic acid, 3-(6-(1-(4-methylph...
- Aclidinium Bromide, Muscarinic acetylcholine receptor M3 antagonist10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A409018View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- LAS 34273, LAS-W 330 | 1-Azoniabicyclo[2.2.2]octane, 3-[(2-hydroxy-2,2-di-2-thienylacetyl)oxy]-1-(3-phenoxypropyl)-, ...
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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.