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
- Nemadectin◐ .Made to order · 8–12 wks Item #: N329392View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1CC(=CCC2CC(CC3(O2)CC(C(C(O3)C(=CC(C)C)C)C)O)OC(=O)C4C=C(C(C5C4(C(=CC=C1)CO5)O)O)C)C
- InChIKey
- YNFMRVVYUVPIAN-AQUURSMBSA-N
- InChI
- show more
- Synonyms
- FEMA 2882 | 1Y8VJ1G3TY | Nemadectine | UNII-1Y8VJ1G3TY | (R)-2-Hydroxypropionsaeure | NEMADECTIN [INN] | Q27253169 | ...
- AzoramideCAS: 932986-18-0 Formula: C15H17ClN2OS Molecular Weight: 308.83Solid 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 Item #: A195910View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide
- SMILES
- CCCC(=O)NCCC1=CSC(=N1)C2=CC=C(C=C2)Cl
- InChIKey
- VYBFWKKCWTXCQX-UHFFFAOYSA-N
- InChI
- 1S/C15H17ClN2OS/c1-2-3-14(19)17-9-8-13-10-20-15(18-13)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,17,19)
- Synonyms
- CCG-267569 | BRD-K67416388-001-01-3 | N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide | SCHEMBL21523880 | ...
- 5′-Fluoro-2′-methylacetophenoneCAS: 29427-49-4 Formula: C9H9FO Molecular Weight: 152.17● In Stock — US Item #: F341379View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(5-fluoro-2-methylphenyl)ethanone
- SMILES
- CC1=C(C=C(C=C1)F)C(=O)C
- InChIKey
- KCNFQEFWFYTFAA-UHFFFAOYSA-N
- InChI
- 1S/C9H9FO/c1-6-3-4-8(10)5-9(6)7(2)11/h3-5H,1-2H3
- Synonyms
- CK2575 | DTXSID40571683 | 5 inverted exclamation mark -Fluoro-2 inverted exclamation mark -methylacetophenone | EN300...
- Lapatinib ditosylate monohydrate, Epidermal growth factor receptor erbB1 inhibitorCAS: 388082-78-8 EC Number: 642-915-3 PubChem CID: 11557040 Formula: C43H44ClFN4O11S3 Molecular Weight: 943.49Solid ≥98%● In Stock — US Item #: L193141View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl.O
- InChIKey
- XNRVGTHNYCNCFF-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- GW 572016F | D04024 | N-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2...
- Niobium nitrideCAS: 24621-21-4 Formula: NbN Molecular Weight: 106.92● In Stock — US Item #: N303187View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- azanylidyneniobium
- SMILES
- N#[Nb]
- InChIKey
- CFJRGWXELQQLSA-UHFFFAOYSA-N
- InChI
- 1S/N.Nb
- Synonyms
- Molybdenum Silicide (Mo5Si3) Sputtering Targets | Niobium nitride | Q2348812 | MFCD00016239 | Niobium nitride (NbN) |...
- Nitrate Ionophore VICAS: 1196157-85-3 Formula: C28H60N4O4 Molecular Weight: 516.8Solid for Ion-selective electrodes ? ISE grade — reagents/standards suited to ion-selective electrode measurement. Use to calibrate and run accurate ISE determinations. ≥95%● In Stock — US Item #: N346572View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 9-hexadecyl-1,7,11,17-tetraoxa-2,6,12,16-tetrazacycloicosane
- SMILES
- CCCCCCCCCCCCCCCCC1CONCCCNOCCCONCCCNOC1
- InChIKey
- NQESDIIOYWZCLK-UHFFFAOYSA-N
- InChI
- 1S/C28H60N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28-26-35-31-22-16-20-29-33-24-18-25-34-30-21-17-23-32-36-27-28/h28-32H,2-27H2,1H3
- Synonyms
- Nitrate Ionophore VI | 9-Hexadecyl-1,7,11,17-tetraoxa-2,6,12,16-tetraazacycloicosane | 9-Hexadecyl-1,7,11,17-tetraoxa...
- Nickel selenide● In Stock — US Item #: N302359View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- selanylidenenickel
- SMILES
- [Ni]=[Se]
- InChIKey
- QHASIAZYSXZCGO-UHFFFAOYSA-N
- InChI
- 1S/Ni.Se
- Synonyms
- Nickel selenide|1314-05-2|selanylidenenickel|Nickel monoselenide|Nickel(II) selenide|CCRIS 7581|Nickel selenide (NiSe...
- Benactyzine Hydrochloride● In Stock — US Item #: B139017View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride
- SMILES
- CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl
- InChIKey
- ZCEHOOLYWQBGQO-UHFFFAOYSA-N
- InChI
- 1S/C20H25NO3.ClH/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,3-4,15-16H2,1-2H3;1H
- Synonyms
- Amysyl | MLS000069801 | Benaktin | Leucidil | MFCD00012624 | Ethanol, 2-(diethylamino)-, benzilate hydrochloride | NS...
- Betamethasone 17-valerate, Glucocorticoid receptor agonistSolid ≥98%● In Stock — US Item #: B123298View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CCCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CO
- InChIKey
- SNHRLVCMMWUAJD-SUYDQAKGSA-N
- InChI
- show more
- Synonyms
- Fuciderm | Topagen (Veterinary) | betamethasone-valerate | Bettamousse | 9-Fluoro-11-beta,17,21-trihydroxy-16-beta-me...
- N,N'-Bis(4-ethoxycarbonylphenyl)-N-benzylformamidineCAS: 586400-06-8 Formula: C26H26N2O4 Molecular Weight: 430.51◐ .Made to order · 8–12 wks Item #: N304067View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 4-[(N-benzyl-4-ethoxycarbonylanilino)methylideneamino]benzoate
- SMILES
- CCOC(=O)C1=CC=C(C=C1)N=CN(CC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OCC
- InChIKey
- WHRPFDOAMQIPQF-UHFFFAOYSA-N
- InChI
- 1S/C26H26N2O4/c1-3-31-25(29)21-10-14-23(15-11-21)27-19-28(18-20-8-6-5-7-9-20)24-16-12-22(13-17-24)26(30)32-4-2/h5-17,19H,3-4,18H2,1-2H3
- Synonyms
- AM62639 | Benzoic acid, 4-[[[[4-(ethoxycarbonyl)phenyl]imino]methyl](phenylmethyl)amino]-, ethyl ester (9CI) | A86939...
- 6,7-ADTN hydrobromideSolid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%◐ .Made to order · 8–12 wks Item #: A274965View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide
- SMILES
- C1CC2=CC(=C(C=C2CC1N)O)O.Br
- InChIKey
- ZGHHIOBQEXZBAG-UHFFFAOYSA-N
- InChI
- 1S/C10H13NO2.BrH/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8;/h4-5,8,12-13H,1-3,11H2;1H
- Synonyms
- Spectrum2_001641 | SR-01000075362 | 6,7-Adtn | NCGC00261100-01 | 2-Amino-6,7-dihydroxytetralin hydrobromide, (+/-)- |...
- Dimethyl fumarate, Kelch-like ECH-associated protein 1 inhibitorSolid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%● In Stock — US Item #: D106459View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- dimethyl (E)-but-2-enedioate
- SMILES
- COC(=O)C=CC(=O)OC
- InChIKey
- LDCRTTXIJACKKU-ONEGZZNKSA-N
- InChI
- 1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
- Synonyms
- (E/Z)-Dimethyl fumarate | Allomaleic acid dimethyl ester | CCG-213618 | Dimethylfumarate | dimethyl-fumarate | 2-bute...
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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.