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
- JHU395◐ .Made to order · 8–12 wks Item #: J414249View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-iminoazanium
- SMILES
- CC(C)OC(=O)C(CCC(=O)C=[N+]=N)NC(=O)OC(C1=CC=CC=C1)OC(=O)C(C)(C)C
- InChIKey
- KCTDLEPDMHFLHZ-KKFHFHRHSA-O
- InChI
- show more
- Synonyms
- L-Norleucine,6-diazo-N-[[(2,2-dimethyl-1-oxopropoxy)phenylmethoxy]carbonyl]-5-oxo-,1-methylethyl ester
- JHU39510mM in DMSO◐ .Made to order · 8–12 wks Item #: J422523View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-iminoazanium
- SMILES
- CC(C)OC(=O)C(CCC(=O)C=[N+]=N)NC(=O)OC(C1=CC=CC=C1)OC(=O)C(C)(C)C
- InChIKey
- KCTDLEPDMHFLHZ-KKFHFHRHSA-O
- InChI
- show more
- Synonyms
- L-Norleucine,6-diazo-N-[[(2,2-dimethyl-1-oxopropoxy)phenylmethoxy]carbonyl]-5-oxo-,1-methylethyl ester
- JIB-04CAS: 199596-05-9 Formula: C17H13ClN4 Molecular Weight: 308.7610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: J422426View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
- SMILES
- C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3
- InChIKey
- YHHFKWKMXWRVTJ-OQKWZONESA-N
- InChI
- 1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
- Synonyms
- (E)-N-(5-Chloro-pyridin-2-yl)-N′-(phenyl-pyridin-2-yl-methylene)-hydrazine
- JNJ 31020028CAS: 1094873-14-9 Formula: C34H36FN5O2 Molecular Weight: 565.68● In Stock — US warehouse, ships to EU* Item #: J413441View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
- SMILES
- CCN(CC)C(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4C5=CN=CC=C5)F
- InChIKey
- OVUNRYUVDVWTTE-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide | 2-(Diethylami...
- JNJ 31020028CAS: 1094873-14-9 Formula: C34H36FN5O2 Molecular Weight: 565.6810mM in DMSO● In Stock — US warehouse, ships to EU* Item #: J420569View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
- SMILES
- CCN(CC)C(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4C5=CN=CC=C5)F
- InChIKey
- OVUNRYUVDVWTTE-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide | 2-(Diethylami...
- JNJ-7706621, Inhibitor of aurora kinase A;Inhibitor of aurora kinase B;Inhibitor of cyclin dependent kinase 1;Inhibitor of cyclin dependent kinase 2;Inhibitor of Janus kinase 2CAS: 443797-96-4 Formula: C15H12F2N6O3S Molecular Weight: 394.36Moligand™ ? 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 #: J408880View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 4-[[5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino]-benzenesulfonamide
- JNJ-7777120, Antagonist of H 4 receptorMoligand™ ? 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 #: J408337View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Methanone, (5-chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)-
- JK18410mM in DMSO● In Stock — US warehouse, ships to EU* Item #: J423282View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(4-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
- SMILES
- CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C4N3C=CC=C4)C
- InChIKey
- ROYXIPOUVGDTAO-UHFFFAOYSA-N
- InChI
- 1S/C19H18N4OS/c1-3-24-15-9-7-14(8-10-15)21-19-22-16(12-25-19)18-13(2)20-17-6-4-5-11-23(17)18/h4-12H,3H2,1-2H3,(H,21,22)
- Synonyms
- AKOS016003923 | DTXSID70360042 | B2693-462944 | BDBM50249523 | N-(4-ETHOXYPHENYL)-4-{2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-...
- JNJ-10229570CAS: 524923-88-4 Formula: C22H19N3O2S Molecular Weight: 389.510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: J424503View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,3-bis(2-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-imine
- SMILES
- COC1=CC=CC=C1C2=NC(=NC3=CC=CC=C3)SN2C4=CC=CC=C4OC
- InChIKey
- XTHRTBCPBWJYRO-UHFFFAOYSA-N
- InChI
- 1S/C22H19N3O2S/c1-26-19-14-8-6-12-17(19)21-24-22(23-16-10-4-3-5-11-16)28-25(21)18-13-7-9-15-20(18)27-2/h3-15H,1-2H3
- Synonyms
- A16876 | SCHEMBL13125067 | JNJ-10229570 | MS-26484 | SCHEMBL11986859 | AKOS040758757 | BCP30848 | SCHEMBL692139 | Z30...
- JNJ-1661010, Inhibitor of Fatty acid amide hydrolase;Inhibitor of Fatty acid amide hydrolase-2CAS: 681136-29-8 Formula: C19H19N5OS Molecular Weight: 365.45Moligand™ ? 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 #: J408111View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Takeda-25 | 1-Piperazinecarboxamide, N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-
- JNJ-38877605, Hepatocyte growth factor receptor inhibitorCAS: 943540-75-8 Formula: C19H13F2N7 Molecular Weight: 377.3510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: J409280View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 6-(difluoro(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)quinoline
- JCN037CAS: 2305154-31-6 Formula: C16H11BrFN3O2 Molecular Weight: 376.18● In Stock — US warehouse, ships to EU* Item #: J412606View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(3-bromo-2-fluorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
- SMILES
- C1COC2=C(O1)C=C3C(=C2)N=CN=C3NC4=C(C(=CC=C4)Br)F
- InChIKey
- MTLUFWWVOINWEL-UHFFFAOYSA-N
- InChI
- 1S/C16H11BrFN3O2/c17-10-2-1-3-11(15(10)18)21-16-9-6-13-14(23-5-4-22-13)7-12(9)19-8-20-16/h1-3,6-8H,4-5H2,(H,19,20,21)
- Synonyms
- JGK037 | N-(3-Bromo-2-fluorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
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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.