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
- IRAK4-IN-1CAS: 1820787-94-7 Formula: C19H23N5O Molecular Weight: 337.4210mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I422234View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile
- SMILES
- C1CC(CCC1NC2=NC=NC3=C2C=C(C=C3)C#N)N4CCOCC4
- InChIKey
- HVQXFGHHSFTACS-UHFFFAOYSA-N
- InChI
- 1S/C19H23N5O/c20-12-14-1-6-18-17(11-14)19(22-13-21-18)23-15-2-4-16(5-3-15)24-7-9-25-10-8-24/h1,6,11,13,15-16H,2-5,7-10H2,(H,21,22,23)
- INCB024360 analogueCAS: 914471-09-3 Formula: C9H7ClFN5O2 Molecular Weight: 271.64Liquid 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I426904View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-amino-N'-(3-chloro-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
- SMILES
- C1=CC(=C(C=C1N=C(C2=NON=C2N)NO)Cl)F
- InChIKey
- HGXSLPIXNPASGZ-UHFFFAOYSA-N
- InChI
- 1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
- Synonyms
- NSC785571 | NSC-785571 | SCHEMBL19654569 | UNII-2HR315841W | 914471-09-3 (INCB14943) | BDBM50300305 | (4E)-4-[(3-chlo...
- Uzansertib phosphate● In Stock — US warehouse, ships to EU* Item #: I414189View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1CN(CC(C1O)N)C2=C3CCC(C3=NC=C2NC(=O)C4=NC(=C(C=C4)F)C5=C(C=CC=C5F)F)O.OP(=O)(O)O
- InChIKey
- CYYVLFVRZDZABX-SEDYQSMDSA-N
- InChI
- show more
- Synonyms
- INCB053914 phosphate | PIM inhibitor 1 phosphate
- INCB054329CAS: 1628607-64-6 Formula: C19H16N4O3 Molecular Weight: 348.3610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I408086View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- INCB-054329, INCB-54329 | Imidazo[1,5,4-de][1,4]benzoxazin-2(1H)-one, 7-(3,5-dimethyl-4-isoxazolyl)-4,...
- INCB054329CAS: 1628607-64-6 Formula: C19H16N4O3 Molecular Weight: 348.36● In Stock — US warehouse, ships to EU* Item #: I414154View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (11S)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
- SMILES
- CC1=C(C(=NO1)C)C2=C3C4=C(C=C2)NC(=O)N4C(CO3)C5=CC=CC=N5
- InChIKey
- XYLPKCDRAAYATL-OAHLLOKOSA-N
- InChI
- 1S/C19H16N4O3/c1-10-16(11(2)26-22-10)12-6-7-14-17-18(12)25-9-15(23(17)19(24)21-14)13-5-3-4-8-20-13/h3-8,15H,9H2,1-2H3,(H,21,24)/t15-/m1/s1
- Synonyms
- AKOS040745044 | EX-A3126 | HY-112504 | Q50825078 | SCHEMBL16038298 | INCB054329 pound INCB-054329,INCB-54329 pound(c)...
- INCB057643CAS: 1820889-23-3 Formula: C20H21N3O5S Molecular Weight: 415.46● In Stock — US warehouse, ships to EU* Item #: I414129View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,2,4-trimethyl-8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-methylsulfonyl-1,4-benzoxazin-3-one
- SMILES
- CC1(C(=O)N(C2=CC(=CC(=C2O1)C3=CN(C(=O)C4=C3C=CN4)C)S(=O)(=O)C)C)C
- InChIKey
- VZSAMEOETVNDQH-UHFFFAOYSA-N
- InChI
- 1S/C20H21N3O5S/c1-20(2)19(25)23(4)15-9-11(29(5,26)27)8-13(17(15)28-20)14-10-22(3)18(24)16-12(14)6-7-21-16/h6-10,21H,1-5H3
- Synonyms
- INCB 057643 | 2,2,4-trimethyl-8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-methylsulfonyl-1,4-benzoxazin-3-one ...
- INCB057643CAS: 1820889-23-3 Formula: C20H21N3O5S Molecular Weight: 415.4610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I422235View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,2,4-trimethyl-8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-methylsulfonyl-1,4-benzoxazin-3-one
- SMILES
- CC1(C(=O)N(C2=CC(=CC(=C2O1)C3=CN(C(=O)C4=C3C=CN4)C)S(=O)(=O)C)C)C
- InChIKey
- VZSAMEOETVNDQH-UHFFFAOYSA-N
- InChI
- 1S/C20H21N3O5S/c1-20(2)19(25)23(4)15-9-11(29(5,26)27)8-13(17(15)28-20)14-10-22(3)18(24)16-12(14)6-7-21-16/h6-10,21H,1-5H3
- Synonyms
- INCB 057643 | 2,2,4-trimethyl-8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-methylsulfonyl-1,4-benzoxazin-3-one ...
- IOWH032, Cystic fibrosis transmembrane conductance regulator inhibitorCAS: 1191252-49-9 Formula: C22H15Br2N3O4 Molecular Weight: 545.1810mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I420846View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(3,5-dibromo-4-hydroxyphenyl)-N-[(4-phenoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
- SMILES
- C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=NO3)C4=CC(=C(C(=C4)Br)O)Br
- InChIKey
- DSFNLJXHXBIKDS-UHFFFAOYSA-N
- InChI
- 1S/C22H15Br2N3O4/c23-17-10-14(11-18(24)19(17)28)20-26-22(31-27-20)21(29)25-12-13-6-8-16(9-7-13)30-15-4-2-1-3-5-15/h1-11,28H,12H2,(H,25,29)
- Synonyms
- LY-110,140 hydrochloride | Q27271180 | UNII-8Y3GDT6YWV | 3-(3,5-dibromo-4-hydroxyphenyl)-N-(4-phenoxybenzyl)-1,2,4-ox...
- IOX2, Inhibitor of egl-9 family hypoxia inducible factor 1;Inhibitor of lysine demethylase 2A;Inhibitor of lysine demethylase 5CMoligand™ ? 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 #: I407921View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- JICL38 | Glycine, N-[[1,2-dihydro-4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]carbonyl]-
- IOX4CAS: 1154097-71-8 Formula: C15H16N6O3 Molecular Weight: 328.33● In Stock — US warehouse, ships to EU* Item #: I413584View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tert-butyl 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylate
- SMILES
- CC(C)(C)OC(=O)C1=CN=C(C=C1)N2C(=O)C(=CN2)N3C=CN=N3
- InChIKey
- HWQQDVNGHZIALS-UHFFFAOYSA-N
- InChI
- 1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,18H,1-3H3
- Synonyms
- 3-Pyridinecarboxylic acid,6-[2,5-dihydro-5-oxo-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl]-,1,1-...
- IOX4CAS: 1154097-71-8 Formula: C15H16N6O3 Molecular Weight: 328.3310mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I420730View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tert-butyl 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylate
- SMILES
- CC(C)(C)OC(=O)C1=CN=C(C=C1)N2C(=O)C(=CN2)N3C=CN=N3
- InChIKey
- HWQQDVNGHZIALS-UHFFFAOYSA-N
- InChI
- 1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,18H,1-3H3
- Synonyms
- 3-Pyridinecarboxylic acid,6-[2,5-dihydro-5-oxo-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl]-,1,1-...
- IPA-3, Inhibitor of p21 (RAC1) activated kinase 1Moligand™ ? 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 #: I423921View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
- SMILES
- C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O
- InChIKey
- RFAXLXKIAKIUDT-UHFFFAOYSA-N
- InChI
- 1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
- Synonyms
- A918483 | GTPL8940 | HMS3263P06 | NCGC00186047-12 | UNII-3XFG6MQ9G2 | NCGC00186047-02 | HMS3678C17 | IPA3 | IPA-3 | M...
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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.