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
- Fast Red ITR SaltCAS: 27580-14-9 Formula: C₁₁H₁₆ClN₃O₃S·₁/₂ZnCl₂ Molecular Weight: 373.93◐ .Made to order · 8–12 wks Item #: F355634View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(diethylsulfamoyl)-2-methoxybenzenediazonium
- SMILES
- CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)[N+]#N
- InChIKey
- QPRGGJBGRUMFBU-UHFFFAOYSA-N
- InChI
- 1S/C11H16N3O3S/c1-4-14(5-2)18(15,16)9-6-7-11(17-3)10(8-9)13-12/h6-8H,4-5H2,1-3H3/q+1
- Synonyms
- Benzenediazonium, 5-[(diethylamino)sulfonyl]-2-methoxy- | 5-Diethylaminosulfonyl-2-methoxybenzenediazonium chloride h...
- SB-505124 hydrochloride● In Stock — US warehouse, ships to EU* Item #: T334804View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine;hydrochloride
- SMILES
- CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4.Cl
- InChIKey
- BTUOOXPZOVNPMF-UHFFFAOYSA-N
- InChI
- 1S/C20H21N3O2.ClH/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15;/h5-10H,11H2,1-4H3,(H,22,23);1H
- Synonyms
- 2-(5-benzo[1,3]dioxol-5-yl-2-tert-butyl-3h-imidazol-4-yl)-6-methylpyridine hydrochloride | BCP19172 | SCHEMBL140197 |...
- TNF-α Inhibitor◐ .Made to order · 8–12 wks Item #: T336348View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1CC2C(CC1C)OC=C(C2=O)CN(C)CCN(C)CC3=CN(C4=CC=CC=C43)C5=CC=CC(=C5)C(F)(F)F.Cl.Cl
- InChIKey
- VGTHKUOPIXHQPK-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 6,7-Dimethyl-3-((methyl-(2-(methyl-(1-(3-trifluoromethyl-phenyl)-1H-indol-3-ylmethyl)-amino)-ethyl)-amino)-methyl)-ch...
- K-(D-1-Nal)-FwLL-NH2 TFA saltCAS: 1394288-22-2(free base) Formula: C53H68F3N9O8 Molecular Weight: 1016.16● In Stock — US warehouse, ships to EU* Item #: K287698View ProductPricing & Pack Sizes
Technical Identifiers
- L-FelinineCAS: 471-09-0 Formula: C8H17NO3S Molecular Weight: 207.29● In Stock — US warehouse, ships to EU* Item #: L353462View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoic acid
- SMILES
- CC(C)(CCO)SCC(C(=O)O)N
- InChIKey
- IFERABFGYYJODC-LURJTMIESA-N
- InChI
- 1S/C8H17NO3S/c1-8(2,3-4-10)13-5-6(9)7(11)12/h6,10H,3-5,9H2,1-2H3,(H,11,12)/t6-/m0/s1
- Synonyms
- L-2-Amino-7-hydroxy-5,5-dimethyl-4-thiaheptanoic acid | S-(3-Hydroxy-1,1-dimethylpropyl)-L-cysteine | L-Felinine
- Scopine hydrochlorideCAS: 85700-55-6 EC Number: 288-237-8 PubChem CID: 24720972 Formula: C8H13NO2・HCl Molecular Weight: 191.66Solid ≥97%◐ .Made to order · 8–12 wks Item #: S357881View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol;hydrochloride
- SMILES
- CN1C2CC(CC1C3C2O3)O.Cl
- InChIKey
- BBBRAOXIMQHVCR-QYRWGYAXSA-N
- InChI
- 1S/C8H13NO2.ClH/c1-9-5-2-4(10)3-6(9)8-7(5)11-8;/h4-8,10H,2-3H2,1H3;1H/t4?,5-,6+,7-,8+;
- Synonyms
- (1alpha,2beta,4beta,5alpha,7beta)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol hydrochloride | (1alpha,2beta,4b...
- Flecainide-d3CAS: 127413-31-4 Formula: C17H17D3F6N2O3 Molecular Weight: 417.36◐ .Made to order · 8–12 wks Item #: F342768View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,4,5-trideuterio-N-(piperidin-2-ylmethyl)-3,6-bis(2,2,2-trifluoroethoxy)benzamide
- SMILES
- C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F
- InChIKey
- DJBNUMBKLMJRSA-JZLVSFENSA-N
- InChI
- 1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)/i4D,5D,7D
- Synonyms
- HY-W010950S | AKOS030243259 | DTXSID40675897 | N-(Piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide-d3 | ...
- U-73343CAS: 142878-12-4 EC Number: 634-320-2 PubChem CID: 114825 Formula: C29H42N2O3 Molecular Weight: 466.7● In Stock — US warehouse, ships to EU* Item #: U276451View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[6-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrolidine-2,5-dione
- SMILES
- CC12CCC3C(C1CCC2NCCCCCCN4C(=O)CCC4=O)CCC5=C3C=CC(=C5)OC
- InChIKey
- CJHWFIUASFBCKN-ZRJUGLEFSA-N
- InChI
- show more
- Synonyms
- 2,5-PYRROLIDINEDIONE, 1-(6-(((17.BETA.)-3-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL)AMINO)HEXYL)- | 1-(6-(((17.BETA.)-3-METH...
- Thyroxine methyl esterSolid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%◐ .Made to order · 8–12 wks Item #: T275997View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
- SMILES
- COC(=O)C(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)N
- InChIKey
- ZTSGDCMQRKBJKC-ZDUSSCGKSA-N
- InChI
- 1S/C16H13I4NO4/c1-24-16(23)13(21)4-7-2-11(19)15(12(20)3-7)25-8-5-9(17)14(22)10(18)6-8/h2-3,5-6,13,22H,4,21H2,1H3/t13-/m0/s1
- Synonyms
- (S)-Methyl 2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoate | SCHEMBL8369341 | Thyroxine Methyl...
- N-(n-Butyl)deoxygalactonojirimycin, Ceramide glucosyltransferase inhibitorSolid 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 #: N342956View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
- SMILES
- CCCCN1CC(C(C(C1CO)O)O)O
- InChIKey
- UQRORFVVSGFNRO-XFWSIPNHSA-N
- InChI
- 1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1
- Synonyms
- DTXSID60161601 | NCGC00181326-01 | Lucerastat | NBDGJ | NB-DGJ | HY-106392 | N-Bu-DGJ | (2R,3S,4R,5S)-1-butyl-2-(hydr...
- TilirosideAnalytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%(HPLC)● In Stock — US warehouse, ships to EU* Item #: T138446View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
- SMILES
- C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O
- InChIKey
- DVGGLGXQSFURLP-VWMSDXGPSA-N
- InChI
- show more
- Synonyms
- HSDB 593 | 2-PROPENOIC ACID, 3-(4-HYDROXYPHENYL)-, 6'-ESTER WITH 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HY...
- Texas Red®-XX-SE◐ .Made to order · 8–12 wks Item #: T276303View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Sulforhodamine101-XX-succinimidylester
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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.