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
24,639Navigate 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
2,815PROTAC 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
102,615Explore 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
- Toceranib phosphate● In Stock — US warehouse, ships to EU* Item #: T413259View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;phosphoric acid
- SMILES
- CC1=C(NC(=C1C(=O)NCCN2CCCC2)C)C=C3C4=C(C=CC(=C4)F)NC3=O.OP(=O)(O)O
- InChIKey
- AOORBROPMMRREB-HBPAQXCTSA-N
- InChI
- show more
- Synonyms
- 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;ph...
- Toceranib phosphateCAS: 874819-74-6 EC Number: 639-691-4 PubChem CID: 16034840 Formula: C22H25FN4O2.H3O4P Molecular Weight: 494.452mM in DMSO● In Stock — US warehouse, ships to EU* Item #: T426614View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;phosphoric acid
- SMILES
- CC1=C(NC(=C1C(=O)NCCN2CCCC2)C)C=C3C4=C(C=CC(=C4)F)NC3=O.OP(=O)(O)O
- InChIKey
- AOORBROPMMRREB-HBPAQXCTSA-N
- InChI
- show more
- Synonyms
- 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;ph...
- Tolvaptan, Vasotocin V2 receptor antagonistCAS: 150683-30-0 EC Number: 691-537-5 PubChem CID: 216237 Formula: C26H25ClN2O3 Molecular Weight: 448.94Moligand™ ? 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 #: T408595View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- OPC-41061 | N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl]-3-methylph...
- Tofacitinib (CP-690550) Citrate, Janus Kinase (JAK) inhibitor10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: T408126View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Tasocitinib Citrate | 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropan...
- Tofogliflozin Monohydrate（CSG 452 hydrate）, Sodium/glucose cotransporter 2 inhibitor● In Stock — US warehouse, ships to EU* Item #: T414057View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol;hydrate
- SMILES
- CCC1=CC=C(C=C1)CC2=CC3=C(COC34C(C(C(C(O4)CO)O)O)O)C=C2.O
- InChIKey
- ZXOCGDDVNPDRIW-NHFZGCSJSA-N
- InChI
- show more
- Synonyms
- (3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol;hyd...
- Tofogliflozin(CSG 452), Sodium/glucose cotransporter 2 inhibitorCAS: 1201913-82-7 EC Number: 894-760-8 PubChem CID: 46908928 Formula: C22H26O6.H2O Molecular Weight: 404.4510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: T420890View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol;hydrate
- SMILES
- CCC1=CC=C(C=C1)CC2=CC3=C(COC34C(C(C(C(O4)CO)O)O)O)C=C2.O
- InChIKey
- ZXOCGDDVNPDRIW-NHFZGCSJSA-N
- InChI
- show more
- Synonyms
- (3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol;hyd...
- Toladryl● In Stock — US warehouse, ships to EU* Item #: T346624View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine
- SMILES
- CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN(C)C
- InChIKey
- PJUYQWIDNIAHIZ-UHFFFAOYSA-N
- InChI
- 1S/C18H23NO/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3
- Synonyms
- ORPHENADRINE IMPURITY F | p-Methylbenzhydryl 2-Dimethylaminoethyl Ether | Diphenhydramine Impurity B | ETHYLAMINE, N,...
- Toddalolactone10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: T424199View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
- SMILES
- CC(C)(C(CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O)O
- InChIKey
- GLWPLQBQHWYKRK-CYBMUJFWSA-N
- InChI
- 1S/C16H20O6/c1-16(2,19)13(17)7-10-11(20-3)8-12-9(15(10)21-4)5-6-14(18)22-12/h5-6,8,13,17,19H,7H2,1-4H3/t13-/m1/s1
- Synonyms
- 2H-1-Benzopyran-2-one, 6-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy- | 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dime...
- Toddalolactone● In Stock — US warehouse, ships to EU* Item #: T414361View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
- SMILES
- CC(C)(C(CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O)O
- InChIKey
- GLWPLQBQHWYKRK-CYBMUJFWSA-N
- InChI
- 1S/C16H20O6/c1-16(2,19)13(17)7-10-11(20-3)8-12-9(15(10)21-4)5-6-14(18)22-12/h5-6,8,13,17,19H,7H2,1-4H3/t13-/m1/s1
- Synonyms
- 2H-1-Benzopyran-2-one, 6-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy- | 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dime...
- Tofacitinib (CP-690550), Inhibitor of Janus kinase 1;Inhibitor of Janus kinase 2;Inhibitor of Janus kinase 3;Inhibitor of protein kinase N1;Inhibitor of tyrosine kinase 2CAS: 477600-75-2 EC Number: 689-145-4 PubChem CID: 9926791 Formula: C16H20N6O Molecular Weight: 312.37Moligand™ ? 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 #: T408212View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Tasocitinib | 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
- Tolnaftate10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: T409281View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- N-methyl-N-(3-methylphenyl)-carbamothioic acid O-2-naphthalenyl ester
- Toloxatone, Monoamine oxidase A inhibitor10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: T423033View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one
- SMILES
- CC1=CC(=CC=C1)N2CC(OC2=O)CO
- InChIKey
- MXUNKHLAEDCYJL-UHFFFAOYSA-N
- InChI
- 1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3
- Synonyms
- (+/-)-5-(HYDROXYMETHYL)-3-M-TOLYL-2-OXAZOLIDINONE | 2-oxazolidinone, 5-(hydroxymethyl)-3-(3-methylphenyl)- | TOLOXATO...
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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.