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
24,642Navigate 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
102,635Explore 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)
19,700Find 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
- Theobromine● In Stock — Germany Item #: T106804View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,7-dimethylpurine-2,6-dione
- SMILES
- CN1C=NC2=C1C(=O)NC(=O)N2C
- InChIKey
- YAPQBXQYLJRXSA-UHFFFAOYSA-N
- InChI
- 1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
- Synonyms
- DivK1c_000611 | NSC757407 | Spectrum4_000403 | KBio2_005569 | Prestwick_1054 | BSPBio_000947 | THEOBROMINE [WHO-DD] |...
- AST-1306 TsOHCAS: 1050500-29-2 Formula: C24H18ClFN4O2·C7H8O3S Molecular Weight: 621.08● In Stock — US warehouse, ships to EU* Item #: A129426View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide;4-methylbenzenesulfonic acid
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)O.C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl
- InChIKey
- ZMUKJEHWLJBODV-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- HMS3655D08 | J-523338 | AST-1306 (TsOH) | FT-0741105 | N-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-y...
- ST 91● In Stock — US warehouse, ships to EU* Item #: S287800View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
- SMILES
- CCC1=C(C(=CC=C1)CC)NC2=NCCN2.Cl
- InChIKey
- ZLRWFGBEDNTMEU-UHFFFAOYSA-N
- InChI
- 1S/C13H19N3.ClH/c1-3-10-6-5-7-11(4-2)12(10)16-13-14-8-9-15-13;/h5-7H,3-4,8-9H2,1-2H3,(H2,14,15,16);1H
- Synonyms
- ST 91 | AKOS024457212 | Benzenamine, 2,6-diethyl-N-2-imidazolidinylidene-, monohydrochloride | E98702 | N-(2,6-Diethy...
- AT 1015CAS: 190508-50-0 Formula: C29H33N3O2•HCl Molecular Weight: 492.05◐ .Made to order · 8–12 wks Item #: A286843View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-formyl-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethyl]piperidine-4-carboxamide;hydrochloride
- SMILES
- C1CN(CCC1C(=O)NCCN2CCC(=C3C4=CC=CC=C4C=CC5=CC=CC=C53)CC2)C=O.Cl
- InChIKey
- YZHGXYNLMHGNJZ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- AT1015 | OO0X01E9MJ | 4-Piperidinecarboxamide, N-(2-(4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-piperidinyl)ethyl)-1-...
- Dimethyl-(3-phenyl-but-3-enyl)-amineCAS: 37918-73-3 Formula: C12H17N Molecular Weight: 175.27◐ .Made to order · 8–12 wks Item #: D349662View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N,N-dimethyl-3-phenylbut-3-en-1-amine
- SMILES
- CN(C)CCC(=C)C1=CC=CC=C1
- InChIKey
- BHNRHKCRCPZZFP-UHFFFAOYSA-N
- InChI
- 1S/C12H17N/c1-11(9-10-13(2)3)12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3
- Synonyms
- N,N-dimethyl-3-phenylbut-3-en-1-amine | DTXSID10528402 | SCHEMBL187729 | AKOS006328091 | dimethyl (3-phenyl-but-3-eny...
- GramineSolid 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 warehouse, ships to EU* Item #: G107688View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(1H-indol-3-yl)-N,N-dimethylmethanamine
- SMILES
- CN(C)CC1=CNC2=CC=CC=C21
- InChIKey
- OCDGBSUVYYVKQZ-UHFFFAOYSA-N
- InChI
- 1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3
- Synonyms
- A842252 | BRD-K26005076-001-03-7 | BSPBio_000598 | NCGC00016343-03 | TNP00029 | CAS-87-52-5 | FGQ8A78L14 | SCHEMBL635...
- Grape Seed ExtractCAS: 84929-27-1 EC Number: 284-511-6 PubChem CID: 78577443 Formula: C32H30O11 Molecular Weight: 590.581Solid ≥95%● In Stock — US warehouse, ships to EU* Item #: G304766View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1=CC(=C(C2=C1CC(C(O2)C3=CC(=C(C=C3)O)O)(C)O)C4C(C(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O
- InChIKey
- VWKAFYWVDIOMSL-PMFFMQSYSA-N
- InChI
- show more
- Synonyms
- AS-83774 | (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihyd...
- AVE 1625, Cannabinoid CB1 receptor antagonistCAS: 358970-97-5 Formula: C23H20Cl2F2N2O2S Molecular Weight: 497.38◐ .Made to order · 8–12 wks Item #: A288684View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide
- SMILES
- CS(=O)(=O)N(C1CN(C1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC(=CC(=C4)F)F
- InChIKey
- IQQBRKLVEALROM-UHFFFAOYSA-N
- InChI
- 1S/C23H20Cl2F2N2O2S/c1-32(30,31)29(21-11-19(26)10-20(27)12-21)22-13-28(14-22)23(15-2-6-17(24)7-3-15)16-4-8-18(25)9-5-16/h2-12,22-23H,13-14H2,1H3
- Synonyms
- Drinabant | HY-14788 | N-[1-[Bis(4-chlorophenyl)methyl]-3-azetidinyl]-N-(3,5-difluorophenyl)methanesulfonamide | AVE ...
- N,n'-hexamethylenebisacrylamideCAS: 7150-41-6 Formula: C12H20N2O2 Molecular Weight: 224.299● In Stock — US warehouse, ships to EU* Item #: N304466View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[6-(prop-2-enoylamino)hexyl]prop-2-enamide
- SMILES
- C=CC(=O)NCCCCCCNC(=O)C=C
- InChIKey
- YQCFXPARMSSRRK-UHFFFAOYSA-N
- InChI
- 1S/C12H20N2O2/c1-3-11(15)13-9-7-5-6-8-10-14-12(16)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16)
- Synonyms
- 7150-41-6|N-[6-(prop-2-enoylamino)hexyl]prop-2-enamide|N,N-HEXAMETHYLENEBISACRYLAMIDE|1,6-Hexamethylenebisacrylamide|...
- Psammaplin ACAS: 110659-91-1 EC Number: 634-570-2 PubChem CID: 6400741 Formula: C22H24Br2N4O6S2 Molecular Weight: 664.39Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%◐ .Made to order · 8–12 wks Item #: P337962View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- C1=CC(=C(C=C1CC(=NO)C(=O)NCCSSCCNC(=O)C(=NO)CC2=CC(=C(C=C2)O)Br)Br)O
- InChIKey
- LMAFSGDNHVBIHU-XUIWWLCJSA-N
- InChI
- show more
- Synonyms
- AKOS040755173 | (2E,2'E)-N,N'-(Disulfanediylbis(ethane-2,1-diyl))bis(3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)prop...
- Diethyl-morpholin-2-ylmethylamineCAS: 122894-66-0 Formula: C9H20N2O Molecular Weight: 172.26● In Stock — US warehouse, ships to EU* Item #: D351571View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-ethyl-N-(morpholin-2-ylmethyl)ethanamine
- SMILES
- CCN(CC)CC1CNCCO1
- InChIKey
- UGQKQNGLLJXUJQ-UHFFFAOYSA-N
- InChI
- 1S/C9H20N2O/c1-3-11(4-2)8-9-7-10-5-6-12-9/h9-10H,3-8H2,1-2H3
- Synonyms
- A804989 | DTXSID50398540 | FT-0693737 | N-ethyl-N-(morpholin-2-ylmethyl)ethanamine | N-ETHYL-N-[(MORPHOLIN-2-YL)METHY...
- Glycoproteins, bovine-wheyCAS: 84082-51-9● In Stock — Germany Item #: G304749View ProductPricing & Pack Sizes
Technical Identifiers
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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.