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
Shop by category
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
102,623Explore 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)
19,695Find 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)
8,779Shop 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
- W-84 dibromideCAS: 21093-51-6 EC Number: 633-814-5 PubChem CID: 167961 Formula: C32H44Br2N4O4 Molecular Weight: 708.53● In Stock — US warehouse, ships to EU* Item #: W288089View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(1,3-dioxoisoindol-2-yl)propyl-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;dibromide
- SMILES
- C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O)CCCN3C(=O)C4=CC=CC=C4C3=O.[Br-].[Br-]
- InChIKey
- DZRJZDQAGMZGGA-UHFFFAOYSA-L
- InChI
- show more
- Synonyms
- J-013837 | W-84 dibromide | A815135 | N1,N6-bis(3-(1,3-dioxoisoindolin-2-yl)propyl)-N1,N1,N6,N6-tetramethylhexane-1,6...
- W8 Hydrochloride◐ .Made to order · 8–12 wks Item #: W274788View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(4-aminobutyl)-5-chloronaphthalene-1-sulfonamide;hydrochloride
- SMILES
- C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)NCCCCN.Cl
- InChIKey
- IKMXJMNRHREPOD-UHFFFAOYSA-N
- InChI
- 1S/C14H17ClN2O2S.ClH/c15-13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)17-10-2-1-9-16;/h3-8,17H,1-2,9-10,16H2;1H
- Synonyms
- A 0666 | N-(4-Aminobutyl)-5-chloronaphthalene-1-sulfonamide--hydrogen chloride (1/1) | N-(4-Aminobutyl)-5-chloro-1-na...
- Tranylcypromine, Monoamine oxidase inhibitor● In Stock — US warehouse, ships to EU* Item #: T275460View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,2S)-2-phenylcyclopropan-1-amine;sulfuric acid
- SMILES
- C1C(C1N)C2=CC=CC=C2.C1C(C1N)C2=CC=CC=C2.OS(=O)(=O)O
- InChIKey
- BKPRVQDIOGQWTG-FKXFVUDVSA-N
- InChI
- 1S/2C9H11N.H2O4S/c2*10-9-6-8(9)7-4-2-1-3-5-7;1-5(2,3)4/h2*1-5,8-9H,6,10H2;(H2,1,2,3,4)/t2*8-,9+;/m00./s1
- Synonyms
- D81815 | Tranylcypromine sulfate [USAN:USP] | EINECS 236-807-1 | (+-)-trans-2-Phenylcyclopropylamine sulfate (2:1) | ...
- Trazodone HCl, Serotonin 2c (5-HT2c) receptor antagonistCAS: 25332-39-2 EC Number: 246-855-5 PubChem CID: 62935 Formula: C19H22ClN5O.HCl Molecular Weight: 408.32● In Stock — US warehouse, ships to EU* Item #: T129695View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
- SMILES
- C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl.Cl
- InChIKey
- OHHDIOKRWWOXMT-UHFFFAOYSA-N
- InChI
- 1S/C19H22ClN5O.ClH/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h1-3,5-7,9,15H,4,8,10-14H2;1H
- Synonyms
- CHEBI:9655 | KB-831 | NCGC00094420-03 | Tombran | D00820 | Tox21_302685 | Azona | TRAZODONE HYDROCHLORIDE [WHO-DD] | ...
- Tolmetin sodium dihydrate● In Stock — US warehouse, ships to EU* Item #: T275047View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate;dihydrate
- SMILES
- CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)[O-].O.O.[Na+]
- InChIKey
- QQILXENAYPUNEA-UHFFFAOYSA-M
- InChI
- 1S/C15H15NO3.Na.2H2O/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;;;/h3-8H,9H2,1-2H3,(H,17,18);;2*1H2/q;+1;;/p-1
- Synonyms
- MCN2559 | DTXCID3025594 | Tolmetin (sodium dihydrate) | AC-7629 | BCP13056 | F85308 | Tox21_110792_1 | HY-B1489 | 1H-...
- Tolperisone hydrochlorideCAS: 3644-61-9 Formula: C16H23NO·HCl Molecular Weight: 281.82● In Stock — US warehouse, ships to EU* Item #: T129576View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
- SMILES
- CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl
- InChIKey
- ZBUVYROEHQQAKL-UHFFFAOYSA-N
- InChI
- 1S/C16H23NO.ClH/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17;/h6-9,14H,3-5,10-12H2,1-2H3;1H
- Synonyms
- H12066 | 2-Methyl-3-piperidino-1-p-tolylpropan-1-one hydrochloride | NAISMERITIN | Tolperisone hydrochloride [JAN] | ...
- Tolterodine tartrateCAS: 124937-52-6 EC Number: 620-503-4 PubChem CID: 443878 Formula: C22H31NO.C4H6O6 Molecular Weight: 475.57Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: T129938View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,3R)-2,3-dihydroxybutanedioic acid;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
- SMILES
- CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2.C(C(C(=O)O)O)(C(=O)O)O
- InChIKey
- TWHNMSJGYKMTRB-KXYUELECSA-N
- InChI
- show more
- Synonyms
- Gallium metal, 99.9995% trace metals grade | (+)-(r)-2-(a-[2-(diisopropylamino)ethyl]benzyl)-p-cresol tartrate | Detr...
- N-Boc-Y-27632◐ .Made to order · 8–12 wks Item #: B275876View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tert-butyl N-[1-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]carbamate
- SMILES
- CC(C1CCC(CC1)C(=O)NC2=CC=NC=C2)NC(=O)OC(C)(C)C
- InChIKey
- YHCODQSFLBHLDV-UHFFFAOYSA-N
- InChI
- 1S/C19H29N3O3/c1-13(21-18(24)25-19(2,3)4)14-5-7-15(8-6-14)17(23)22-16-9-11-20-12-10-16/h9-15H,5-8H2,1-4H3,(H,21,24)(H,20,22,23)
- Synonyms
- Methyl[(1R)-1-[trans-4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]carbamate
- Trelagliptin● In Stock — US warehouse, ships to EU* Item #: T127446View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile
- SMILES
- CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCCC(C3)N
- InChIKey
- IWYJYHUNXVAVAA-OAHLLOKOSA-N
- InChI
- 1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1
- Synonyms
- 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile | EX-A470 | A855303 ...
- L-Citrulline DL-Malate (1:1)CAS: 54940-97-5 Formula: C6H13N3O3·C4H6O5 Molecular Weight: 309.28● In Stock — US warehouse, ships to EU* Item #: L303962View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-amino-5-(carbamoylamino)pentanoic acid;2-hydroxybutanedioic acid
- SMILES
- C(CC(C(=O)O)N)CNC(=O)N.C(C(C(=O)O)O)C(=O)O
- InChIKey
- DROVUXYZTXCEBX-WCCKRBBISA-N
- InChI
- 1S/C6H13N3O3.C4H6O5/c7-4(5(10)11)2-1-3-9-6(8)12;5-2(4(8)9)1-3(6)7/h4H,1-3,7H2,(H,10,11)(H3,8,9,12);2,5H,1H2,(H,6,7)(H,8,9)/t4-;/m0./s1
- Synonyms
- HY-N0391A | L-Citrulline,DL-malate | (2S)-2-amino-5-ureido-pentanoic acid; 2-hydroxybutanedioic acid | AC7947 | D0770...
- N-Acetyl-S-farnesyl-L-cysteine(AFC)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 #: A275559View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-2-acetamido-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid
- SMILES
- CC(=CCCC(=CCCC(=CCSCC(C(=O)O)NC(=O)C)C)C)C
- InChIKey
- XTURYZYJYQRJDO-BNAHBJSTSA-N
- InChI
- show more
- Synonyms
- BRD-K79437791-001-02-4 | 4-Methylumbelliferyl phosphate (free acid) | BDBM50530481 | HMS1989F06 | HMS3649I07 | (2R)-2...
- N-Acetyl-de-O-sulfated heparin (Heparin IV-A) sodium saltCAS: 133686-69-8Solid Reagent Grade ? General reagent-grade purity suitable for most laboratory work. Use as a dependable default when no specific higher grade is required.● In Stock — US warehouse, ships to EU* Item #: N130949View ProductPricing & Pack Sizes
Technical Identifiers
Fast Shipping Same-day shipping on in-stock items
Technical Details Quality & specification info on every product page
Pack Size Options Multiple packaging sizes with pricing access from listing
R&D Use Only Products supplied for research and development use
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.