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
24,672Navigate 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
102,686Explore 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)
19,733Find 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)
8,799Shop 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
- MiltironeCAS: 27210-57-7 Formula: C19H22O2 Molecular Weight: 282.38Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%◐ .Made to order · 8–12 wks Item #: M333438View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione
- SMILES
- CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O
- InChIKey
- FEFAIBOZOKSLJR-UHFFFAOYSA-N
- InChI
- 1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3
- Synonyms
- Miltiron | MS-24015 | SCHEMBL13568178 | AC-34173 | CHEBI:34851 | FEFAIBOZOKSLJR-UHFFFAOYSA-N | 5,6,7,8-Tetrahydro-8,8...
- Ezetimibe Tetrahydropyran ImpurityCAS: 1296129-15-1 Formula: C24H21F2NO3 Molecular Weight: 409.43● In Stock — US warehouse, ships to EU* Item #: E357349View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,3R,6S)-N,6-bis(4-fluorophenyl)-2-(4-hydroxyphenyl)oxane-3-carboxamide
- SMILES
- C1CC(OC(C1C(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)O)C4=CC=C(C=C4)F
- InChIKey
- IBDXWUJVRNPFPE-VJBWXMMDSA-N
- InChI
- show more
- Synonyms
- (2R,3R,6S)-N,6-Bis(4-fluorophenyl)tetrahydro-2-(4-hydroxyphenyl)-2H-pyran-3-carboxamide | Ezetimibe Tetrahydropyran I...
- FBPase-1 inhibitorCAS: 883973-99-7 Formula: C13H7Cl3N2O3S Molecular Weight: 377.63● In Stock — US warehouse, ships to EU* Item #: F345271View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,5-dichloro-N-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide
- SMILES
- C1=CC2=C(C=C1Cl)N=C(O2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
- InChIKey
- JCXZHFCBNFFHRC-UHFFFAOYSA-N
- InChI
- 1S/C13H7Cl3N2O3S/c14-7-2-4-11-10(5-7)17-13(21-11)18-22(19,20)12-6-8(15)1-3-9(12)16/h1-6H,(H,17,18)
- Synonyms
- Fructose 1,6-bisphosphatase-1 Inhibitor
- Moclobemide N-OxideCAS: 64544-24-7 Formula: C13H17ClN2O3 Molecular Weight: 284.74● In Stock — US warehouse, ships to EU* Item #: M333414View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-chloro-N-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]benzamide
- SMILES
- C1COCC[N+]1(CCNC(=O)C2=CC=C(C=C2)Cl)[O-]
- InChIKey
- CJTZZADPEGGIMM-UHFFFAOYSA-N
- InChI
- 1S/C13H17ClN2O3/c14-12-3-1-11(2-4-12)13(17)15-5-6-16(18)7-9-19-10-8-16/h1-4H,5-10H2,(H,15,17)
- Synonyms
- Ro-12-5637 | Benzamide, 4-chloro-N-(2-(4-morpholinyl)ethyl)-, N-oxide | Ro 12-5637 | A837738 | AKOS040753776 | SCHEMB...
- ModecainideCAS: 81329-71-7 Formula: C22H28N2O3 Molecular Weight: 368.47Solid 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 #: M333413View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-hydroxy-3-methoxy-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide
- SMILES
- CN1CCCCC1CCC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)O)OC
- InChIKey
- LBYXPDAENJSHDD-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- BMY 40327 | Modecainidum [INN-Latin] | BMY-40327 | MJ 14030 | Modecainidum | 3-Methoxy-O-demethylencainide | 4-hydrox...
- Mofezolac, Cyclooxygenase-1 inhibitorCAS: 78967-07-4 Formula: C19H17NO5 Molecular Weight: 339.35◐ .Made to order · 8–12 wks Item #: M304648View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid
- SMILES
- COC1=CC=C(C=C1)C2=C(ON=C2C3=CC=C(C=C3)OC)CC(=O)O
- InChIKey
- DJEIHHYCDCTAAH-UHFFFAOYSA-N
- InChI
- 1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
- Synonyms
- 3,4-bis(p-Methoxyphenyl)-5-isoxazoleacetic acid | CHEBI:31860 | IDI1_009937 | N-22 | BRD-K49372556-001-02-5 | CCG-107...
- Monoheptyl phthalateCAS: 24539-58-0 Formula: C15H20O4 Molecular Weight: 264.32● In Stock — US warehouse, ships to EU* Item #: M333037View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-heptoxycarbonylbenzoic acid
- SMILES
- CCCCCCCOC(=O)C1=CC=CC=C1C(=O)O
- InChIKey
- DMVQNBGDYPFJCC-UHFFFAOYSA-N
- InChI
- 1S/C15H20O4/c1-2-3-4-5-8-11-19-15(18)13-10-7-6-9-12(13)14(16)17/h6-7,9-10H,2-5,8,11H2,1H3,(H,16,17)
- Synonyms
- 1,2-Benzenedicarboxylicacid,1-heptyl ester | Phthalic acid mono-n-heptyl ester | 2-(Heptyloxycarbonyl)benzoic acid | ...
- Sulfolane-d8● In Stock — US warehouse, ships to EU* Item #: S357666View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide
- SMILES
- C1CCS(=O)(=O)C1
- InChIKey
- HXJUTPCZVOIRIF-SVYQBANQSA-N
- InChI
- 1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2/i1D2,2D2,3D2,4D2
- Synonyms
- 126-33-0 (unlabeled) | Sulpholane-D8 >99 Atom % D | (?H?)-1 | D98473 | Sulfolane-d8, 98 atom % D, 97% (CP) | HY-34444...
- Monononyl PhthalateCAS: 24539-59-1 Formula: C17H24O4 Molecular Weight: 292.37● In Stock — US warehouse, ships to EU* Item #: M333033View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-nonoxycarbonylbenzoic acid
- SMILES
- CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O
- InChIKey
- LNKHFECVVLVFFE-UHFFFAOYSA-N
- InChI
- 1S/C17H24O4/c1-2-3-4-5-6-7-10-13-21-17(20)15-12-9-8-11-14(15)16(18)19/h8-9,11-12H,2-7,10,13H2,1H3,(H,18,19)
- Synonyms
- monononyl phthalate | 1,2-Benzenedicarboxylic acid, monononyl ester | DTXSID20179282 | 2-[(NONYLOXY)CARBONYL]BENZOIC ...
- Tenuazonic Acid Copper Salt◐ .Made to order · 8–12 wks Item #: T276350View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- (5S)-3-Acetyl-5-[(2S)-butan-2-yl]-4-hydroxy-1,5-dihydro-2H-pyrrol-2-onecoppersalt
- Terbutaline solutionCAS: 23031-32-5 EC Number: 245-386-3 PubChem CID: 441334 Formula: C12H19NO3·1/2H2SO4 Molecular Weight: 274.32Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. 1.00mg/ml in methanol◐ .Made to order · 8–12 wks Item #: T121759View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;sulfuric acid
- SMILES
- CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O
- InChIKey
- KFVSLSTULZVNPG-UHFFFAOYSA-N
- InChI
- 1S/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)
- Synonyms
- Sulfacyl sodium salt | bis(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol); sulfuric acid | CAS-23031-32-5 | ...
- FTY720-d4 HydrochlorideCAS: 1346604-90-7 Formula: C19H30D4ClNO2 Molecular Weight: 347.96◐ .Made to order · 8–12 wks Item #: F336826View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-1,1,3,3-tetradeuterio-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol;hydrochloride
- SMILES
- CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N.Cl
- InChIKey
- SWZTYAVBMYWFGS-JWIOGAFXSA-N
- InChI
- 1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22;/h9-12,21-22H,2-8,13-16,20H2,1H3;1H/i15D2,16D2;
- Synonyms
- 2-Amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol-d4 Hydrochloride
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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.