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
24,653Navigate 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
102,664Explore 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)
19,717Find 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)
8,793Shop 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
- Chlormethiazole Hydrochloride● In Stock — US Item #: C153490View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
- SMILES
- CC1=C(SC=N1)CCCl.Cl
- InChIKey
- OFXYKSLKNMTBHK-UHFFFAOYSA-N
- InChI
- 1S/C6H8ClNS.ClH/c1-5-6(2-3-7)9-4-8-5;/h4H,2-3H2,1H3;1H
- Synonyms
- 6-Methyl-5-(1-methyl-1H-pyrazol-5-yl)-N-((5-(methylsulfonyl)pyridin-2-yl)methyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-...
- O-AcetylserineCAS: 5147-00-2 Formula: C5H9NO4 Molecular Weight: 147.13● In Stock — US Item #: O303851View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-3-acetyloxy-2-aminopropanoic acid
- SMILES
- CC(=O)OCC(C(=O)O)N
- InChIKey
- VZXPDPZARILFQX-BYPYZUCNSA-N
- InChI
- 1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
- Synonyms
- A913073 | AKOS006238075 | CHEBI:17981 | MFCD00037771 | O-Acetyl-L-serine (H-L-Ser(Ac)-OH) | Tofacitinib des-(N-oxopro...
- BIM 23042 TFACAS: 111857-96-6(free) Formula: C64H74N11O11S2F3 Molecular Weight: 1294.46● In Stock — US Item #: B295026View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 2-(2-(1-(2-(2-(2-(2-amino-4-methylpentanamido)-3-methylbutanamido)-3-methylbutanamido)-3-(4-hydroxyphenyl)propanoyl)p...
- Guanosine 5′-O-(2-Thiodiphosphate) trilithium salt● In Stock — US Item #: G333065View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- trilithium;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dioxidophosphinothioyl phosphate
- SMILES
- [Li+].[Li+].[Li+].C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])OP(=S)([O-])[O-])O)O)N=C(NC2=O)N
- InChIKey
- LMCWQGPJYZRMKU-CYCLDIHTSA-K
- InChI
- show more
- Synonyms
- Guanosine 5'-O-(2-thiodiphosphate) trilithium salt | EINECS 308-328-9 | Guanosine 5'-[beta-thio]diphosphate trilithiu...
- OGT 2115CAS: 853929-59-6 Formula: C24H16BrFN2O4 Molecular Weight: 495.3● In Stock — US Item #: O288697View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-[4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-fluorophenyl]-1,3-benzoxazol-5-yl]acetic acid
- SMILES
- C1=CC(=CC=C1C=CC(=O)NC2=C(C=C(C=C2)C3=NC4=C(O3)C=CC(=C4)CC(=O)O)F)Br
- InChIKey
- LKBXWNYXDMSFQU-ONNFQVAWSA-N
- InChI
- show more
- Synonyms
- 2-[4-[[3-(4-Bromophenyl)-1-oxo-2-propenyl]amino]-3-fluorophenyl]-5-benzoxazoleacetic acid
- BMS 193885● In Stock — US Item #: B287092View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=O)NCCCN3CCC(CC3)C4=CC(=CC=C4)OC)C(=O)OC.CC(C(=O)O)O
- InChIKey
- BYHJIPSVXAFCDI-WNQIDUERSA-N
- InChI
- show more
- Synonyms
- 1,4-Dihydro-4-[3-[[[[3-[4-(3-methoxyphenyl)-1-piperidinyl]propyl]amino]carbonyl]amino]phenyl]-2,6-dimethyl-3,5-pyridi...
- Chlormadinone Acetate, Progesterone receptor modulatorSolid ≥97%(HPLC)● In Stock — US Item #: C153375View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
- SMILES
- CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)OC(=O)C
- InChIKey
- QMBJSIBWORFWQT-DFXBJWIESA-N
- InChI
- show more
- Synonyms
- 6-Chloro-delta(sup 6)-17-acetoxyprogesterone | Chloramdinone acetate | 6-Chloro-3,20-dioxopregna-4,6-dien-17-yl aceta...
- Octadecyl Amine Ethoxylate EtherCAS: 26635-92-7 Formula: (C2H4O)n(C2H4O)n.C22H47NO2Total amine value mgKOH/g 75～85● In Stock — US Item #: O303281View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-[2-(2-hydroxyethoxy)ethyl-octadecylamino]ethoxy]ethanol
- SMILES
- CCCCCCCCCCCCCCCCCCN(CCOCCO)CCOCCO
- InChIKey
- IEXQFYPEUSYMHN-UHFFFAOYSA-N
- InChI
- 1S/C26H55NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(19-23-30-25-21-28)20-24-31-26-22-29/h28-29H,2-26H2,1H3
- Synonyms
- 26635-92-7|2-[2-[2-(2-hydroxyethoxy)ethyl-octadecylamino]ethoxy]ethanol|Nymeen S-202|SCHEMBL1791354|Octadecyl Amine E...
- BTS 54-505 hydrochlorideSolid ≥99%● In Stock — US Item #: B286942View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-amine;hydrochloride
- SMILES
- CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N.Cl
- InChIKey
- KHRVYINTXCWNRF-UHFFFAOYSA-N
- InChI
- 1S/C15H22ClN.ClH/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12;/h4-7,11,14H,3,8-10,17H2,1-2H3;1H
- Synonyms
- EPA Pesticide Chemical Code 078802 | Esiteren | Q27293871 | Bts 54 505 | CYCLOBUTANEMETHANAMINE, 1-(4-CHLOROPHENYL)-....
- Octyl-3,5-di-tert-butyl-4-hydroxy-hydrocinnamateLiquid ≥98%● In Stock — US Item #: O302304View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
- SMILES
- CCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
- InChIKey
- CFXCGWWYIDZIMU-UHFFFAOYSA-N
- InChI
- 1S/C25H42O3/c1-8-9-10-11-12-13-16-28-22(26)15-14-19-17-20(24(2,3)4)23(27)21(18-19)25(5,6)7/h17-18,27H,8-16H2,1-7H3
- Synonyms
- 125643-61-0|Octyl-3,5-di-tert-butyl-4-hydroxy-hydrocinnamate|Antioxidant 1135|13417-12-4|Octyl 3-(3,5-di-tert-butyl-4...
- H8 dihydrochloride● In Stock — US Item #: H276181View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide;dihydrochloride
- SMILES
- CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2.Cl.Cl
- InChIKey
- RJJLZYZEVNCZIW-UHFFFAOYSA-N
- InChI
- 1S/C12H15N3O2S.2ClH/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12;;/h2-6,9,13,15H,7-8H2,1H3;2*1H
- Synonyms
- AKOS015919086 | 5-Isoquinolinesulfonamide,N-[2-(methylamino)ethyl]-,hydrochloride(1:2) | Allene (ca. 2% in N,N-Dimeth...
- Lodoxamide tromethamineCAS: 63610-09-3 Formula: C11H6ClN3O6·2C4H11NO3 Molecular Weight: 553.9● In Stock — US Item #: L185724View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid
- SMILES
- C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N.C(C(CO)(CO)N)O.C(C(CO)(CO)N)O
- InChIKey
- JJOFNSLZHKIJEV-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- LODOXAMIDE TROMETAMOL [MART.] | Q27260799 | LODOXAMIDE TROMETHAMINE [VANDF] | AKOS016009147 | LODOXAMIDE TROMETAMOL (...
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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.