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
- ELA-14 (human) TFACAS: 1886973-05-2(free) Formula: C75H119N25O17S2·C2HF3O2 Molecular Weight: 1821.03● In Stock — US warehouse, ships to EU* Item #: E407708View ProductPricing & Pack Sizes
Technical Identifiers
- ELN484228CAS: 312-63-0 Formula: C12H10FNO2S Molecular Weight: 251.2810mM in DMSO● In Stock — US warehouse, ships to EU* Item #: E423219View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(4-fluorophenyl)benzenesulfonamide
- SMILES
- C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F
- InChIKey
- AZORQGXJAXEIGC-UHFFFAOYSA-N
- InChI
- 1S/C12H10FNO2S/c13-10-6-8-11(9-7-10)14-17(15,16)12-4-2-1-3-5-12/h1-9,14H
- Synonyms
- N-(4-fluorophenyl)benzenesulfonamide|312-63-0|ELN484228|4'-fluorobenzenesulfonanilide|NSC164389|ELN 484228|Cambridge ...
- E-64CAS: 66701-25-5 Formula: C15H27N5O5 Molecular Weight: 357.4110mM in DMSO● In Stock — US warehouse, ships to EU* Item #: E425359View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3S)-3-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
- SMILES
- CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(O)=O)C(=O)NCCCCNC(N)=N
- InChIKey
- LTLYEAJONXGNFG-DCAQKATOSA-N
- InChI
- show more
- Synonyms
- SCHEMBL4740187 | BDBM50157741 | (2S,3S)-3-(N-{(S)-1-[N-(4-guanidinobutyl)carbamoyl]3-methylbutyl}carbamoyl)oxirane-2-...
- E-64cCAS: 76684-89-4 Formula: C15H26N2O5 Molecular Weight: 314.38Liquid 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: E425884View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
- SMILES
- CC(C)CCNC(=O)C(CC(C)C)NC(=O)C1C(O1)C(=O)O
- InChIKey
- SCMSYZJDIQPSDI-SRVKXCTJSA-N
- InChI
- 1S/C15H26N2O5/c1-8(2)5-6-16-13(18)10(7-9(3)4)17-14(19)11-12(22-11)15(20)21/h8-12H,5-7H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11-,12-/m0/s1
- Synonyms
- Alcohol, Benzyl | e-64c | E-64-c | BRN 6688621 | SCHEMBL3281530 | CCG-207845 | HO-tES-Leu-NH-CH2-CH2CH(CH3)2 | HY-100...
- E3330, DNA-(apurinic or apyrimidinic site) lyase inhibitorCAS: 136164-66-4 Formula: C21H30O6 Molecular Weight: 378.4610mM in DMSO◐ .Made to order · 8–12 wks Item #: E421373View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid
- SMILES
- CCCCCCCCCC(=CC1=C(C(=O)C(=C(C1=O)OC)OC)C)C(=O)O
- InChIKey
- AALSSIXXBDPENJ-FYWRMAATSA-N
- InChI
- 1S/C21H30O6/c1-5-6-7-8-9-10-11-12-15(21(24)25)13-16-14(2)17(22)19(26-3)20(27-4)18(16)23/h13H,5-12H2,1-4H3,(H,24,25)/b15-13+
- Synonyms
- E3330 | E-3330 | EX-A2212 | Undecanoic acid, 2-((4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene)-,...
- E6446 dihydrochlorideLiquid 2mM in DMSO● In Stock — US warehouse, ships to EU* Item #: E421299View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-(3-pyrrolidin-1-ylpropoxy)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-1,3-benzoxazole;dihydrochloride
- SMILES
- C1CCN(C1)CCCOC2=CC=C(C=C2)C3=NC4=C(O3)C=C(C=C4)OCCCN5CCCC5.Cl.Cl
- InChIKey
- DQOUZINBHKWGGM-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Benzoxazole,6-[3-(1-pyrrolidinyl)propoxy]-2-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]-,hydrochloride (1:2)
- E7046 (ER-886406)CAS: 1369489-71-3 Formula: C22H18F5N3O4 Molecular Weight: 483.39Liquid 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: E421400View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(1S)-1-[[3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carbonyl]amino]ethyl]benzoic acid
- SMILES
- CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(N(N=C2C(F)F)C)OC3=CC=CC(=C3)C(F)(F)F
- InChIKey
- MKLKAQMPKHNQPR-NSHDSACASA-N
- InChI
- show more
- Synonyms
- 1369489-71-3|E7046|E-7046|ER-886046|PALUPIPRANT|YWY620GU8I|Benzoic acid, 4-((1S)-1-(((3-(difluoromethyl)-1-methyl-5-(...
- E7449, Tankyrase 1/2 inhibitorCAS: 1140964-99-3 Formula: C18H15N5O Molecular Weight: 317.34● In Stock — US warehouse, ships to EU* Item #: E414006View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 11-(1,3-dihydroisoindol-2-ylmethyl)-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8,11-pentaen-4-one
- SMILES
- C1C2=CC=CC=C2CN1CC3=NC4=NNC(=O)C5=C4C(=CC=C5)N3
- InChIKey
- JLFSBHQQXIAQEC-UHFFFAOYSA-N
- InChI
- 1S/C18H15N5O/c24-18-13-6-3-7-14-16(13)17(21-22-18)20-15(19-14)10-23-8-11-4-1-2-5-12(11)9-23/h1-7H,8-10H2,(H,22,24)(H,19,20,21)
- Synonyms
- HY-12418 | Parp inhibitor 2x-121 | A909458 | STENOPARIB [WHO-DD] | AC-36842 | BCP19934 | NSC783107 | NSC-783107 | NSC...
- EAI045, Allosteric modulator of epidermal growth factor receptorCAS: 1942114-09-1 Formula: C19H14FN3O3S Molecular Weight: 383.4Liquid Moligand™ ? 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 #: E422370View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
- SMILES
- C1C2=CC=CC=C2C(=O)N1C(C3=C(C=CC(=C3)F)O)C(=O)NC4=NC=CS4
- InChIKey
- YTUFHOKUFOQRDF-UHFFFAOYSA-N
- InChI
- 1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25)
- Synonyms
- 2H-Isoindole-2-acetamide,α-(5-fluoro-2-hydroxyphenyl)-1,3-dihydro-1-oxo-N-2-thiazolyl-
- EB-3DCAS: 1839150-63-8 Formula: C3OH36Br2N4O2 Molecular Weight: 644.44Liquid 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: E422256View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine;dibromide
- SMILES
- CN(C)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)OCCOC3=CC=C(C=C3)C[N+]4=CC=C(C=C4)N(C)C.[Br-].[Br-]
- InChIKey
- SCXVGPSPZQBBDM-UHFFFAOYSA-L
- InChI
- show more
- Synonyms
- Pyridinium,1,1'-[1,2-ethanediylbis(oxy-4,1-phenylenemethylene)]bis[4-(dimethylamino)-,bromide (1:2)
- EB-3DCAS: 1839150-63-8 Formula: C3OH36Br2N4O2 Molecular Weight: 644.44● In Stock — US warehouse, ships to EU* Item #: E412819View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine;dibromide
- SMILES
- CN(C)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)OCCOC3=CC=C(C=C3)C[N+]4=CC=C(C=C4)N(C)C.[Br-].[Br-]
- InChIKey
- SCXVGPSPZQBBDM-UHFFFAOYSA-L
- InChI
- show more
- Synonyms
- Pyridinium,1,1'-[1,2-ethanediylbis(oxy-4,1-phenylenemethylene)]bis[4-(dimethylamino)-,bromide (1:2)
- E-4031CAS: 113559-13-0 EC Number: 690-710-2 PubChem CID: 3087190 Formula: C21H27N3O3S.2HCl Molecular Weight: 474.4410mM in DMSO◐ .Made to order · 8–12 wks Item #: E420686View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride
- SMILES
- CC1=NC(=CC=C1)CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C.Cl.Cl
- InChIKey
- ZQBNWMFBOSOOLX-UHFFFAOYSA-N
- InChI
- 1S/C21H27N3O3S.2ClH/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27;;/h3-9,18,23H,10-15H2,1-2H3;2*1H
- Synonyms
- C21H27N3O3S.2HCl | n-(4-(1-(2-(6-methylpyridin-2-yl)ethyl)piperidine-4-carbonyl)phenyl)methanesulfonamide 2hcl; e-403...
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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.