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).
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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
24,642Navigate 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
102,634Explore 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)
19,701Find 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)
8,782Shop 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
- D-XyloseSolid ≥98%● In Stock — US Item #: D304349View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3R,4S,5R)-oxane-2,3,4,5-tetrol
- SMILES
- C1C(C(C(C(O1)O)O)O)O
- InChIKey
- SRBFZHDQGSBBOR-LECHCGJUSA-N
- InChI
- 1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
- Synonyms
- (2S,3R,4S,5R)-tetrahydro-2H-pyran-2,3,4,5-tetraol | AKOS024462556 | BRN 1562108 | CCRIS 9027 | CHEBI:28518 | D85124 |...
- Fmoc-cis-DL-3-phenyl-Pro-OH● In Stock — US Item #: F338865View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-phenylpyrrolidine-2-carboxylic acid
- SMILES
- C1CN(C(C1C2=CC=CC=C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
- InChIKey
- XZINBBVSLWSWBO-UUOWRZLLSA-N
- InChI
- show more
- Synonyms
- rac-Fmoc-cis-3-Phenyl-pyrrolidine-2-carboxylic acid | SCHEMBL1675971 | rac-(2R,3R)-1-{[(9H-fluoren-9-yl)methoxy]carbo...
- RimantadineMoligand™ ? 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 Item #: R129918View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(1-adamantyl)ethanamine
- SMILES
- CC(C12CC3CC(C1)CC(C3)C2)N
- InChIKey
- UBCHPRBFMUDMNC-UHFFFAOYSA-N
- InChI
- 1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
- Synonyms
- DTXSID2023561 | Enamine_005755 | NCGC00159491-02 | Remantadine | RIMANTADINE [HSDB] | (RS)-1-(1-ADAMANTYL)ETHANAMINE ...
- 9H-Perfluorononanoic acidCAS: 76-21-1 Formula: C9H2F16O2 Molecular Weight: 446.09● In Stock — US Item #: H346307View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid
- SMILES
- C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
- InChIKey
- RARQGXBOCXOJPM-UHFFFAOYSA-N
- InChI
- 1S/C9H2F16O2/c10-1(11)3(12,13)5(16,17)7(20,21)9(24,25)8(22,23)6(18,19)4(14,15)2(26)27/h1H,(H,26,27)
- Synonyms
- AI3-25487 | perfluornonanoic acid | AT23289 | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid | Q27117811...
- AA92593CAS: 457961-34-1 Formula: C13H19NO3S Molecular Weight: 269.36● In Stock — US Item #: A170447View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-methoxy-3-methylphenyl)sulfonylpiperidine
- SMILES
- CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC
- InChIKey
- HDTKLZINZGEPFG-UHFFFAOYSA-N
- InChI
- 1S/C13H19NO3S/c1-11-10-12(6-7-13(11)17-2)18(15,16)14-8-4-3-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3
- Synonyms
- 1-(4-Methoxy-3-methyl-benzenesulfonyl)-piperidine | 1-[(4-Methoxy-3-methylphenyl)sulfonyl]-piperidine | Cy1001 | 1-((...
- Fmoc-styryl-L-beta-homoalanine● In Stock — US Item #: F338314View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-phenylhex-5-enoic acid
- SMILES
- C1=CC=C(C=C1)C=CCC(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
- InChIKey
- MLWHGLZHUJARIA-ZBWUASRJSA-N
- InChI
- show more
- Methyl 6-[(tert-butoxycarbonyl)amino]nicotinateCAS: 144186-11-8 Formula: C12H16N2O4 Molecular Weight: 252.27◐ .Made to order · 8–12 wks Item #: M334995View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
- SMILES
- CC(C)(C)OC(=O)NC1=NC=C(C=C1)C(=O)OC
- InChIKey
- KHMRKCRGUHPQLA-UHFFFAOYSA-N
- InChI
- 1S/C12H16N2O4/c1-12(2,3)18-11(16)14-9-6-5-8(7-13-9)10(15)17-4/h5-7H,1-4H3,(H,13,14,16)
- Synonyms
- SY064950 | 3-Pyridinecarboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester | AKOS005070806 | Methyl...
- TFM-4AS-1◐ .Made to order · 8–12 wks Item #: T287604View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC12CCC3C(C1CCC2C(=O)NC4=CC=CC=C4C(F)(F)F)CCC5C3(C=CC(=O)N5C)C
- InChIKey
- YFBLEKKYWFJKBP-JZFZSVFHSA-N
- InChI
- show more
- Synonyms
- (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-Trimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahy...
- A 412997 dihydrochloride◐ .Made to order · 8–12 wks Item #: A286583View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide;dihydrochloride
- SMILES
- CC1=CC(=CC=C1)NC(=O)CN2CCC(CC2)C3=CC=CC=N3.Cl.Cl
- InChIKey
- KIGNSSHMCNBHQX-UHFFFAOYSA-N
- InChI
- 1S/C19H23N3O.2ClH/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18;;/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23);2*1H
- Synonyms
- HY-103424 | 2-(4-(Pyridin-2-yl)piperidin-1-yl)-N-(m-tolyl)acetamidedihydrochloride | A 412997 dihydrochloride | 13477...
- D-myo-Inositol-3,4,5-triphosphate (sodium salt)Formula: C₆H₁₂O₁₅P₃・3Na Molecular Weight: 486◐ .Made to order · 8–12 wks Item #: D380034View ProductPricing & Pack Sizes
Technical Identifiers
- SMILES
- O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])O)[C@@H](OP(=O)([O-])O)[C@H](OP(=O)([O-])O)[C@H]1O
- Denatonium benzoate(THS 839)Solid Moligand™ ? 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 Item #: D124654View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate
- SMILES
- CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C(C=C1)C(=O)[O-]
- InChIKey
- VWTINHYPRWEBQY-UHFFFAOYSA-N
- InChI
- 1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)
- Synonyms
- THS 839 | Benzoate de denatonium | F16467 | N-Benzyl-2-((2,6-dimethylphenyl)amino)-N,N-diethyl-2-oxoethanaminium benz...
- FOY 251CAS: 71079-09-9 Formula: C17H19N3O7S Molecular Weight: 409.41● In Stock — US Item #: F334972View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]acetic acid;methanesulfonic acid
- SMILES
- CS(=O)(=O)O.C1=CC(=CC=C1CC(=O)O)OC(=O)C2=CC=C(C=C2)N=C(N)N
- InChIKey
- JXMOPIDYHUYOED-UHFFFAOYSA-N
- InChI
- 1S/C16H15N3O4.CH4O3S/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21;1-5(2,3)4/h1-8H,9H2,(H,20,21)(H4,17,18,19);1H3,(H,2,3,4)
- Synonyms
- 2-(4-((4-Guanidinobenzoyl)oxy)phenyl)acetic acid compound with methanesulfonic acid (1:1) | 4-GBCE (methanesulfonate)...
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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.