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
- BI-4464CAS: 1227948-02-8 Formula: C28H28F3N5O4 Molecular Weight: 555.5510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B420979View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-methoxy-N-(1-methylpiperidin-4-yl)-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
- SMILES
- CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC5=C4C(=O)CC5)C(F)(F)F)OC
- InChIKey
- QUSSZSMDFABHLI-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Benzamide,4-[[4-[(2,3-dihydro-3-oxo-1H-inden-4-yl)oxy]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-3-�...
- BI-671800, G protein-coupled receptor 44 antagonistCAS: 1093108-50-9 Formula: C25H26F3N5O3 Molecular Weight: 501.510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B420563View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4,6-bis(dimethylamino)-2-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid
- SMILES
- CN(C)C1=C(C(=NC(=N1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)N(C)C)CC(=O)O
- InChIKey
- XEOSTBFUCNZKGS-UHFFFAOYSA-N
- InChI
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- Synonyms
- NCGC00345797-02 | AC-30903 | Actimis | BI671800 | BI-671800 | 5-Pyrimidineacetic acid, 4,6-bis(dimethylamino)-2-((4-(...
- BI-7273, Inhibitor of bromodomain containing 9CAS: 1883429-21-7 Formula: C20H23N3O3 Molecular Weight: 353.41Moligand™ ? 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 #: B422299View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
- SMILES
- CN1C=C(C2=C(C1=O)C=NC=C2)C3=CC(=C(C(=C3)OC)CN(C)C)OC
- InChIKey
- RBUYFHLQNPJMQM-UHFFFAOYSA-N
- InChI
- 1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
- Synonyms
- 2,7-Naphthyridin-1(2H)-one,4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-
- BI-84732510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B420910View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indol-6-yl]-N-ethylprop-2-ynamide
- SMILES
- CCNC(=O)C#CC1=CC2=C(C=C1)C(=C(N2)O)C(=NC3=CC=C(C=C3)CN(C)C)C4=CC=CC=C4
- InChIKey
- OCUQMWSIGPQEMX-UHFFFAOYSA-N
- InChI
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- Synonyms
- NSC799360 | NSC-799360 | (Z)-3-(3-((4-((dimethylamino)methyl)phenylamino)(phenyl)methylene)-2-oxoindolin-6-yl)-N-ethy...
- BI-9564, Inhibitor of bromodomain containing 7;Inhibitor of bromodomain containing 9Moligand™ ? 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 #: B422300View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
- SMILES
- CN1C=C(C2=C(C1=O)C=NC=C2)C3=C(C=C(C(=C3)OC)CN(C)C)OC
- InChIKey
- BJFSUDWKXGMUKA-UHFFFAOYSA-N
- InChI
- 1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3
- Synonyms
- BI 9564 | 4-[4-[(Dimethylamino)methyl]-2,5-dimethoxyphenyl]-2-methyl-1,2-dihydro-2,7-naphthyridin-1-one | BI-9564, >=...
- BI-D1870, Inhibitor of ribosomal protein S6 kinase A1;Inhibitor of ribosomal protein S6 kinase A2;Inhibitor of ribosomal protein S6 kinase A3;Inhibitor of ribosomal protein S6 kinase A6CAS: 501437-28-1 Formula: C19H23F2N5O2 Molecular Weight: 391.42Moligand™ ? 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 #: B409269View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 6(5H)-Pteridinone, 2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dihydro-5,7-dimethyl-8-(3-methylbutyl)-
- BIA 10-2474, Inhibitor of Fatty acid amide hydrolaseCAS: 1233855-46-3 Formula: C16H20N4O2 Molecular Weight: 300.36Moligand™ ? 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 #: B421011View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-cyclohexyl-N-methyl-4-(1-oxidopyridin-1-ium-3-yl)imidazole-1-carboxamide
- SMILES
- CN(C1CCCCC1)C(=O)N2C=C(N=C2)C3=C[N+](=CC=C3)[O-]
- InChIKey
- DOWVMJFBDGWVML-UHFFFAOYSA-N
- InChI
- 1S/C16H20N4O2/c1-18(14-7-3-2-4-8-14)16(21)19-11-15(17-12-19)13-6-5-9-20(22)10-13/h5-6,9-12,14H,2-4,7-8H2,1H3
- Synonyms
- 1233855-46-3|BIA 10-2474|BIA10-2474|3-(1-(cyclohexyl(methyl)carbamoyl)-1H-imidazol-4-yl)pyridine 1-oxide|BIA-10-2474|...
- BIBF-077510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B423448View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-ethyl-2-hydroxy-N-methyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide
- SMILES
- CCN(C)C(=O)C1=CC2=C(C=C1)C(=C(N2)O)C(=NC3=CC=C(C=C3)CN4CCCCC4)C5=CC=CC=C5
- InChIKey
- JGQSLTZPBLZNBX-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- (3Z)-N-Ethyl-2,3-dihydro-N-methyl-2-oxo-3-[phenyl[[4-(1-piperidinylmethyl)phenyl]amino]methylene]-1H-indole-6-carboxa...
- BIBF-0775● In Stock — US warehouse, ships to EU* Item #: B412776View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-ethyl-2-hydroxy-N-methyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide
- SMILES
- CCN(C)C(=O)C1=CC2=C(C=C1)C(=C(N2)O)C(=NC3=CC=C(C=C3)CN4CCCCC4)C5=CC=CC=C5
- InChIKey
- JGQSLTZPBLZNBX-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- (3Z)-N-Ethyl-2,3-dihydro-N-methyl-2-oxo-3-[phenyl[[4-(1-piperidinylmethyl)phenyl]amino]methylene]-1H-indole-6-carboxa...
- BIBR 1532CAS: 321674-73-1 Formula: C21H17NO3 Molecular Weight: 331.3610mM in DMSO◐ .Made to order · 8–12 wks Item #: B408352View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- (E)-2-(3-(naphthalen-2-yl)but-2-enamido)benzoic acid
- BDTX-189, Epidermal growth factor receptor erbB1 negative allosteric modulatorCAS: 2414572-47-5 Formula: C29H29ClN6O4 Molecular Weight: 561.03Moligand™ ? 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 #: B422804View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-(2-morpholin-4-ylethoxy)quinazolin-6-yl]prop-2-enamide
- SMILES
- C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)OCCN5CCOCC5
- InChIKey
- HIBPKFXWOPYJPZ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- HY-136789 | 2-Propenamide, N-[4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-[2-(4-morpholinyl)ethoxy]-6-quinazol...
- BI 894999● In Stock — US warehouse, ships to EU* Item #: B414067View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one
- SMILES
- CC1=CC(=NN(C1=O)C)C2=NC3=CN=C(C=C3N2C(C)C4=CC=CC=C4)C5CCOCC5
- InChIKey
- QNFGQQDKBYVNAS-KRWDZBQOSA-N
- InChI
- show more
- Synonyms
- 3(2H)-Pyridazinone, 2,4-dimethyl-6-[1-[(1S)-1-phenylethyl]-6-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl...
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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.