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
- Nutlin-3CAS: 890090-75-2 Formula: C30H30Cl2N4O4 Molecular Weight: 581.49● In Stock — US Item #: N129969View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
- SMILES
- CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
- InChIKey
- BDUHCSBCVGXTJM-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- NSC732664 | NSC-732664 | SW220144-1 | 4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimid...
- Venturicidin ACAS: 33538-71-5 EC Number: 251-568-3 PubChem CID: 10055855 Formula: C41H67NO11 Molecular Weight: 750◐ .Made to order · 8–12 wks Item #: V329490View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CCC(=O)C(C)C(C(C)CC(C)C1C(CC(C=CC(CCCC=C(C2C(=CCC(O2)(CC(=O)O1)O)C)C)OC3CC(C(C(O3)C)O)OC(=O)N)C)C)O
- InChIKey
- HHQKNFDAEDTRJK-LIOWZGMGSA-N
- InChI
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- Synonyms
- AKOS040745412 | 46L30W9XBB | AA-0368 | Aabomycin A1 | Venturidicin A | SCHEMBL2219808 | DTXSID201317371 | [(2R,3R,4R,...
- Cyanine3 hydrazide◐ .Made to order · 8–12 wks Item #: C275928View ProductPricing & Pack Sizes
Technical Identifiers
- Cyanine3 amine◐ .Made to order · 8–12 wks Item #: C275909View ProductPricing & Pack Sizes
Technical Identifiers
- Cyanine3 maleimide tetrafluoroborateCAS: 2755154-93-7 Formula: C36H43BF4N4O3 Molecular Weight: 666.56Solid ≥95%● In Stock — US Item #: C276411View ProductPricing & Pack Sizes
Technical Identifiers
- VindolineCAS: 2182-14-1 EC Number: 218-558-0 PubChem CID: 260535 Formula: C25H32N2O6 Molecular Weight: 456.53● In Stock — US Item #: V101706View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C
- InChIKey
- CXBGOBGJHGGWIE-ACSXSLCXSA-N
- InChI
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- Synonyms
- CHEBI:16380 | NSC-628056 | MFCD27991347 | methyl 4beta-acetyloxy-3beta-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2bet...
- Boldine● In Stock — US Item #: B340470View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
- SMILES
- CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O
- InChIKey
- LZJRNLRASBVRRX-ZDUSSCGKSA-N
- InChI
- 1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
- Synonyms
- BOLDINE (EP MONOGRAPH) | DTXSID40883394 | 5-21-06-00118 (Beilstein Handbook Reference) | 6a.alpha.-Aporphine-2,9-diol...
- Cyanine3 azide (DMSO solution)◐ .Made to order · 8–12 wks Item #: C276420View ProductPricing & Pack Sizes
Technical Identifiers
- Verruculogen● In Stock — US Item #: V139794View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC(=CC1N2C3=C(C=CC(=C3)OC)C4=C2C(CC(OO1)(C)C)N5C(=O)C6CCCN6C(=O)C5(C4O)O)C
- InChIKey
- LRXYHMMJJCTUMY-GWXUGYLUSA-N
- InChI
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- Synonyms
- DTXSID30894030 | AKOS030213151 | (5R,10S,10aR,14aS,15bS)-10,10a-dihydroxy-6-methoxy-2,2-dimethyl-5-(2-methylprop-1-en...
- Vinorelbine ditartrate salt hydrateCAS: 125317-39-7 Formula: C45H54N4O8·2C4H6O6·xH2O Molecular Weight: 1079.11（dry basis）● In Stock — US Item #: V120497View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
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- InChIKey
- CILBMBUYJCWATM-LNLXBTRNSA-N
- InChI
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- Synonyms
- KW-2307 | Vinorelbine Bitartrate | 1217449-57-4 | Q-100110 | (2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,9R,10S,...
- VernakalantCAS: 794466-70-9 EC Number: 616-691-2 PubChem CID: 9930049 Formula: C20H31NO4 Molecular Weight: 349.47Solid ≥98%● In Stock — US Item #: V126985View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
- SMILES
- COC1=C(C=C(C=C1)CCOC2CCCCC2N3CCC(C3)O)OC
- InChIKey
- VBHQKCBVWWUUKN-KZNAEPCWSA-N
- InChI
- 1S/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18-/m1/s1
- Synonyms
- Vernakalant [INN] | A864860 | UNII-9G468C8B13 | VBHQKCBVWWUUKN-KZNAEPCWSA-N | Vemakalant | SCHEMBL410062 | (3R)-1-((1...
- L-[2-¹³C]glucoseCAS: 478519-05-0 Formula: C513CH12O6 Molecular Weight: 181.15Solid ≥99%,≥99 atom% ¹³C◐ .Made to order · 8–12 wks Item #: L354519View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S,4R,5R,6S)-6-(hydroxymethyl)(313C)oxane-2,3,4,5-tetrol
- SMILES
- C(C1C(C(C(C(O1)O)O)O)O)O
- InChIKey
- WQZGKKKJIJFFOK-UOWJPWBSSA-N
- InChI
- 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m0/s1/i5+1
- Synonyms
- FM 602-2-13C | L(?)-Glucose-2-13C | Levoglucose-2-13C | l-Glucose-2-13C
![L-[2-¹³C]glucose - ≥99%,≥99 atom % ¹³C CAS No(478519-05-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/L/3/L354519.jpg)
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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.