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
- BCI-121CAS: 432529-82-3 Formula: C14H18BrN3O2 Molecular Weight: 340.22● In Stock — US warehouse, ships to EU* Item #: B413651View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[2-(4-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
- SMILES
- C1CN(CCC1C(=O)N)CC(=O)NC2=CC=C(C=C2)Br
- InChIKey
- KSUYPIXCRPCPGF-UHFFFAOYSA-N
- InChI
- 1S/C14H18BrN3O2/c15-11-1-3-12(4-2-11)17-13(19)9-18-7-5-10(6-8-18)14(16)20/h1-4,10H,5-9H2,(H2,16,20)(H,17,19)
- Synonyms
- 1-Piperidineacetamide,4-(aminocarbonyl)-N-(4-bromophenyl)-
- BD750CAS: 892686-59-8 EC Number: 804-735-5 PubChem CID: 16459674 Formula: C14H13N3OS Molecular Weight: 271.34● In Stock — US warehouse, ships to EU* Item #: B412667View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
- SMILES
- C1CCC2=C(C1)C(=O)N(N2)C3=NC4=CC=CC=C4S3
- InChIKey
- QWUHPPCZZXKXOQ-UHFFFAOYSA-N
- InChI
- 1S/C14H13N3OS/c18-13-9-5-1-2-6-10(9)16-17(13)14-15-11-7-3-4-8-12(11)19-14/h3-4,7-8,16H,1-2,5-6H2
- Synonyms
- 2-(2-Benzothiazolyl)-4,5,6,7-tetrahydro-2H-indazol-3-ol | MS-23843 | STK241724 | STK615824 | 2-(1,3-benzothiazol-2-yl...
- BDA-366CAS: 1909226-00-1 Formula: C24H29N3O4 Molecular Weight: 423.5● In Stock — US warehouse, ships to EU* Item #: B413853View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[[(2S)-3-(diethylamino)-2-hydroxypropyl]amino]-4-[[(2S)-oxiran-2-yl]methylamino]anthracene-9,10-dione
- SMILES
- CCN(CC)CC(CNC1=C2C(=C(C=C1)NCC3CO3)C(=O)C4=CC=CC=C4C2=O)O
- InChIKey
- JYOOEVFJWLBLKF-HOTGVXAUSA-N
- InChI
- show more
- Synonyms
- 1-[[3-(Diethylamino)-2(S)-hydroxypropyl]amino]-4-[(2(S)-oxiranylmethyl)amino]-9,10-anthracenedione
- BAY 869766, Allosteric modulator of mitogen-activated protein kinase kinase 1;Allosteric modulator of mitogen-activated protein kinase kinase 2Moligand™ ? 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 #: B426935View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
- SMILES
- COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)CC(CO)O)NC3=C(C=C(C=C3)I)F)F)F
- InChIKey
- RDSACQWTXKSHJT-NSHDSACASA-N
- InChI
- show more
- Synonyms
- AS-56859 | Refametinib (RDEA119, Bay 86-9766) | 3e8n | AKOS025401896 | RDEA119 | RDEA-119 | N-{3,4-difluoro-2-[(2-flu...
- BAY 87-2243CAS: 1227158-85-1 Formula: C26H26F3N7O2 Molecular Weight: 525.5410mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B420975View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)pyridin-4-yl]methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
- SMILES
- CC1=CC(=NN1CC2=CC(=NC=C2)N3CCN(CC3)C4CC4)C5=NC(=NO5)C6=CC=C(C=C6)OC(F)(F)F
- InChIKey
- CDJNNOJINJAXPV-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- BAY 87-2243|1227158-85-1|BAY87-2243|bay-87-2243|5XQ7LE6DZG|1-cyclopropyl-4-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)ph...
- BAY 87610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B422196View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-N-[1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
- SMILES
- CC1=C(C(=NN1CC2=CC=C(C=C2)C#N)C(F)(F)F)NC(=O)C3=CC(=NC4=C3C=CC(=C4)F)C(=O)N
- InChIKey
- BKLJDIJJOOQUFG-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- N4-(1-(4-Cyanobenzyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-7-fluoroquinoline-2,4-dicarboxamide | BAY876 | BA...
- BAY-1816032CAS: 1891087-61-8 Formula: C27H24F2N6O4 Molecular Weight: 534.5110mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B422315View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[3,5-difluoro-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol
- SMILES
- COC1=CN=C(N=C1NC2=C(C=NC=C2)OC)C3=NN(C4=CC=CC=C43)CC5=C(C=C(C=C5F)OCCO)F
- InChIKey
- QVOGVAVHOLLLAZ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Ethanol,2-[3,5-difluoro-4-[[3-[5-methoxy-4-[(3-methoxy-4-pyridinyl)amino]-2-pyrimidinyl]-1H-indazol-...
- BAY-218CAS: 2162982-11-6 Formula: C2OH17ClFN3O3 Molecular Weight: 401.8210mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B422602View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 4-Pyridazinecarboxamide,6-(4-chlorophenyl)-2-(3-fluorophenyl)-2,3-dihydro-N-[(1S)-2-hydroxy-1-meth...
- BAY-47410mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B420416View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,6-dimethyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
- SMILES
- CC1=C2C=C(C=CC2=NN1)C3C(=C(NC(=C3C#N)C)C)C#N
- InChIKey
- QKVFMAAIXZONRN-UHFFFAOYSA-N
- InChI
- 1S/C17H15N5/c1-9-14(7-18)17(15(8-19)10(2)20-9)12-4-5-16-13(6-12)11(3)21-22-16/h4-6,17,20H,1-3H3,(H,21,22)
- Synonyms
- 3,5-Pyridinedicarbonitrile,1,4-dihydro-2,6-dimethyl-4-(3-methyl-1H-indazol-5-yl)-
- BAY-61-360610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B425289View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide;dihydrochloride
- SMILES
- COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC.Cl.Cl
- InChIKey
- SPMFEULFGGPQLN-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- MS-28520 | 2-(7-(3,4-Dimethoxyphenyl)imidazo(1,2-c)pyrimidin-5-ylamino)nicotinamide dihydrochloride | BAY 61-3606 (di...
- BC-1215● In Stock — US warehouse, ships to EU* Item #: B412321View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine
- SMILES
- C1=CC=NC(=C1)C2=CC=C(C=C2)CNCCNCC3=CC=C(C=C3)C4=CC=CC=N4
- InChIKey
- IXEPQJQQSLMESJ-UHFFFAOYSA-N
- InChI
- 1S/C26H26N4/c1-3-15-29-25(5-1)23-11-7-21(8-12-23)19-27-17-18-28-20-22-9-13-24(14-10-22)26-6-2-4-16-30-26/h1-16,27-28H,17-20H2
- Synonyms
- AKOS037643445 | EX-A4964 | C26H26N4 | S0322 | N1,N2-Bis[[4-(2-pyridinyl)phenyl]methyl]- 1,2-ethanediamine | N1,N2-Bis...
- BC1618CAS: 2222094-18-8 Formula: C24H24F3NO2 Molecular Weight: 415.45● In Stock — US warehouse, ships to EU* Item #: B414497View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(dibenzylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
- SMILES
- C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C(F)(F)F)O
- InChIKey
- LGTYABNNHILKHF-UHFFFAOYSA-N
- InChI
- 1S/C24H24F3NO2/c25-24(26,27)21-11-13-23(14-12-21)30-18-22(29)17-28(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,22,29H,15-18H2
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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.