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
102,665Explore 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
- YM-01 (YM-1)● In Stock — US warehouse, ships to EU* Item #: Y274902View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;chloride
- SMILES
- CCN1C(=CC2=CC=CC=[N+]2C)SC(=C3N(C4=CC=CC=C4S3)C)C1=O.[Cl-]
- InChIKey
- KEQDCNWQIQWINZ-UHFFFAOYSA-M
- InChI
- 1S/C20H20N3OS2.ClH/c1-4-23-17(13-14-9-7-8-12-21(14)2)26-18(19(23)24)20-22(3)15-10-5-6-11-16(15)25-20;/h5-13H,4H2,1-3H3;1H/q+1;/p-1
- Synonyms
- 2-[[3-Ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]-1-methyl-pyridinium chloride
- YM-08CAS: 812647-88-4 Formula: C19H17N3OS2 Molecular Weight: 367.49◐ .Made to order · 8–12 wks Item #: Y275810View ProductPricing & Pack Sizes
Technical Identifiers
- SMILES
- O=C4N(CC)C(=C\c1ccccn1)\S/C4=C3/Sc2ccccc2N3C
- Synonyms
- (2Z,5E)-3-Ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
- Palmitoylisopropylamide● In Stock — US warehouse, ships to EU* Item #: P286679View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-propan-2-ylhexadecanamide
- SMILES
- CCCCCCCCCCCCCCCC(=O)NC(C)C
- InChIKey
- TZYVUGCYYQOTQR-UHFFFAOYSA-N
- InChI
- 1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)20-18(2)3/h18H,4-17H2,1-3H3,(H,20,21)
- Synonyms
- PIA | N-(1-Methylethyl)-hexadecanamide | N-isopropylpalmitamide
- Naringin dihydrochalconeCAS: 18916-17-1 Formula: C27H34O14 Molecular Weight: 582.55● In Stock — US warehouse, ships to EU* Item #: N132531View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=C(C=C4)O)O)CO)O)O)O)O)O
- InChIKey
- CWBZAESOUBENAP-QVNVHUMTSA-N
- InChI
- show more
- Synonyms
- Glucopyranoside, 3,5-dihydroxy-4-(p-hydroxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D- | s23...
- Clemizole hydrochlorideCAS: 1163-36-6 EC Number: 214-605-4 PubChem CID: 5309446 Formula: C19H21Cl2N3 Molecular Weight: 362.3● In Stock — US warehouse, ships to EU* Item #: C166171View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride
- SMILES
- C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl.Cl
- InChIKey
- DNFMJYXRIMLMBZ-UHFFFAOYSA-N
- InChI
- 1S/C19H20ClN3.ClH/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;/h1-2,5-10H,3-4,11-14H2;1H
- Synonyms
- 1-p-Chlorobenzyl-2-(1-pyrrolidinylmethyl)benzimidazole hydrochloride | AL 20; AL20; AL-20; Clemizole HCl | 1-(p-chlor...
- Lersivirine, Human immunodeficiency virus type 1 reverse transcriptase inhibitorSolid ≥98%● In Stock — US warehouse, ships to EU* Item #: L125187View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile
- SMILES
- CCC1=C(C(=NN1CCO)CC)OC2=CC(=CC(=C2)C#N)C#N
- InChIKey
- MCPUZZJBAHRIPO-UHFFFAOYSA-N
- InChI
- 1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3
- Synonyms
- Q27287760 | UK 453,061 | Lersivirine [USAN] | UNII-R3ZGC15A9A | 5-{[3,5-Diethyl-1-(2-Hydroxyethyl)-1h-Pyrazol-4-Yl]ox...
- WAY 316606 hydrochloride● In Stock — US warehouse, ships to EU* Item #: W286811View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(benzenesulfonyl)-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
- SMILES
- C1CNCCC1NS(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)C(F)(F)F.Cl
- InChIKey
- YLOYHLUHXQJNGO-UHFFFAOYSA-N
- InChI
- 1S/C18H19F3N2O4S2.ClH/c19-18(20,21)16-7-6-15(28(24,25)14-4-2-1-3-5-14)12-17(16)29(26,27)23-13-8-10-22-11-9-13;/h1-7,12-13,22-23H,8-11H2;1H
- Synonyms
- 5-(Phenylsulfonyl)-N-4-piperidinyl-2-(trifluoromethyl)benzene sulfonamide hydrochloride
- ZK 93423 hydrochloride◐ .Made to order · 8–12 wks Item #: Z288295View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
- SMILES
- CCOC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4.Cl
- InChIKey
- KHMDBPAODAAMBQ-UHFFFAOYSA-N
- InChI
- 1S/C23H22N2O4.ClH/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22;/h4-12,25H,3,13-14H2,1-2H3;1H
- Synonyms
- 4-(Methoxymethyl)-6-(phenylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylicacidethylesterhydrochloride | 1216574-52-5 | e...
- Pantoprazole sodium● In Stock — US warehouse, ships to EU* Item #: P275166View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
- SMILES
- COC1=C(C(=NC=C1)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC(F)F)OC.[Na+]
- InChIKey
- YNWDKZIIWCEDEE-UHFFFAOYSA-N
- InChI
- 1S/C16H14F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3;/q-1;+1
- Synonyms
- PANTOPRAZOLE SODIUMDelayed Release | Protonix IV | MFCD01658543 | MLS001424073 | NCGC00167757-03 | Tox21_302362 | UNI...
- Pefloxacin MesylateCAS: 70458-95-6 Formula: C17H20FN3O3·CH4O3S Molecular Weight: 429.46● In Stock — US warehouse, ships to EU* Item #: P129371View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
- SMILES
- CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O
- InChIKey
- HQQSBEDKMRHYME-UHFFFAOYSA-N
- InChI
- 1S/C17H20FN3O3.CH4O3S/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4)
- Synonyms
- 1589 mR.B. | STL445507 | (3-hydroxypropyl)carbamic acid tert-butyl ester | 1-Ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1...
- Orphenadrine Citrate, Glutamate [NMDA] receptor antagonistCAS: 4682-36-4 Formula: C18H23NO.C6H8O7 Molecular Weight: 461.5● In Stock — US warehouse, ships to EU* Item #: O129984View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
- SMILES
- CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
- InChIKey
- MMMNTDFSPSQXJP-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 2-carbamoyl nicotinic acid | ETHANAMINE, N,N-DIMETHYL-2-((2-METHYLPHENYL)PHENYLMETHOXY)-, (+/-)-, 2-HYDROXY-1,2,3-PRO...
- ColuracetamCAS: 135463-81-9 Formula: C19H23N3O3 Molecular Weight: 341.4Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: C190679View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(2,3-dimethyl-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
- SMILES
- CC1=C(OC2=NC3=C(CCCC3)C(=C12)NC(=O)CN4CCCC4=O)C
- InChIKey
- PSPGQHXMUKWNDI-UHFFFAOYSA-N
- InChI
- 1S/C19H23N3O3/c1-11-12(2)25-19-17(11)18(13-6-3-4-7-14(13)20-19)21-15(23)10-22-9-5-8-16(22)24/h3-10H2,1-2H3,(H,20,21,23)
- Synonyms
- DS-14004 | DTXSID60159386 | AC-31948 | C3689 | Coluracetam;MKC-231;BCI-540 | FT-0697594 | F16433 | A857829 | Colurace...
![Orphenadrine Citrate, Glutamate [NMDA] receptor antagonist](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/O/1/O129984.png)
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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.