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
- Almitrine dimesilateCAS: 29608-49-9 Formula: C28H37F2N7O6S2 Molecular Weight: 669.76● In Stock — US warehouse, ships to EU* Item #: A353252View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine;methanesulfonic acid
- SMILES
- CS(=O)(=O)O.CS(=O)(=O)O.C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C
- InChIKey
- MRDBGMJEPGXQHJ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- ALMITRINE DIMESILATE [MART.] | N2,N4-Diallyl-6-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-1,3,5-triazine-2,4-diami...
- AloperineCAS: 56293-29-9 Formula: C15H24N2 Molecular Weight: 232.36Solid 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 warehouse, ships to EU* Item #: A129926View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
- SMILES
- C1CCN2CC3CC(C2C1)C=C4C3NCCC4
- InChIKey
- SKOLRLSBMUGVOY-GBJTYRQASA-N
- InChI
- 1S/C15H24N2/c1-2-7-17-10-13-9-12(14(17)5-1)8-11-4-3-6-16-15(11)13/h8,12-16H,1-7,9-10H2/t12-,13+,14+,15+/m0/s1
- Synonyms
- (1R,2S,9R,10R)-3,15-DIAZATETRACYCLO[7.7.1.0(2),?.0(1)?,(1)?]HEPTADEC-7-ENE | Aloperine, 96% | Alop1 compound | CCG-26...
- Alosetron Hydrochloride, Serotonin 3a (5-HT3a) receptor antagonist2mM in Water● In Stock — US warehouse, ships to EU* Item #: A420985View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one;hydrochloride
- SMILES
- CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl
- InChIKey
- FNYQZOVOVDSGJH-UHFFFAOYSA-N
- InChI
- 1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H
- Synonyms
- ALOSETRON HYDROCHLORIDE [MI] | GR 68755 (Hydrochloride(1:X));GR 68755X (Hydrochloride(1:X)) | MLS001401464 | DTXSID80...
- Almorexant HCl● In Stock — US warehouse, ships to EU* Item #: A412771View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide;hydrochloride
- SMILES
- CNC(=O)C(C1=CC=CC=C1)N2CCC3=CC(=C(C=C3C2CCC4=CC=C(C=C4)C(F)(F)F)OC)OC.Cl
- InChIKey
- BYGBTDRDPBJUBB-LHIMUUITSA-N
- InChI
- show more
- Synonyms
- Almorexant (hydrochloride) | BA166116 | 913358-93-7(Almorexant HCl), 871224-64-5 (Almorexant). | AR,_1S)_- | (R)-2-(...
- Almorexant HCl10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A408452View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- ACT-078573 HCl | (R)-2-((S)-1-(4-(trifluoromethyl)phenethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-...
- Almotriptan Malate, Serotonin 1d (5-HT1d) receptor agonist10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A408681View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- LAS 31416 | N,N-dimethyl-5-[(1-pyrrolidinylsulfonyl)methyl]-1H-indole-3-ethanamine,compd. with 2-hydroxy-...
- AlnustoneCAS: 33457-62-4 Formula: C19H18O Molecular Weight: 262.3510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A423446View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one
- SMILES
- C1=CC=C(C=C1)CCC(=O)C=CC=CC2=CC=CC=C2
- InChIKey
- OWMJDOUOHDOUFG-FNCQTZNRSA-N
- InChI
- 1S/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8+
- Synonyms
- CHEBI:174465 | NSC 378841 | MFCD00926095 | trans,trans-1,7-diphenyl-1,3-heptadien-5-one | DTXSID30415724 | Alnustone ...
- Alobresib (GS-5829)CAS: 1637771-14-2 Formula: C26H23N5O2 Molecular Weight: 437.4910mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A422017View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol
- SMILES
- CC1=C(C(=NO1)C)C2=CC(=C3C(=C2)NC(=N3)C4CC4)C(C5=CC=CC=N5)(C6=CC=CC=N6)O
- InChIKey
- CMSUJGUHYXQSOK-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol | Gs 5829 | GS-5829;GS 5...
- Aloc-D-Ala-Phe-Lys(Aloc)-PAB-PNP◐ .Made to order · 8–12 wks Item #: A412480View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C2=CC=C(C=C2)COC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(CCCCNC(=O)OCC=C)C(=O)N)NC(=O)OCC=C
- InChIKey
- AZOIYVUEQXFWAV-KUSJRIKGSA-N
- InChI
- show more
- Aloeresin A◐ .Made to order · 8–12 wks Item #: A329557View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)O
- InChIKey
- QACRJXSXSVUOFZ-HINKZNOMSA-N
- InChI
- show more
- Synonyms
- AKOS040734417 | CHEBI:81333 | Aloeresin A [MI] | UNII-73899319HU | Q27155272 | 7-Hydroxy-8-(2-O-((2E)-3-(4-hydroxyphe...
- AloesinCAS: 30861-27-9 Formula: C19H22O9 Molecular Weight: 394.3710mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A423190View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
- SMILES
- CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)O)O
- InChIKey
- HKIKAXXIWJHWLY-ZIIYPAMZSA-N
- InChI
- show more
- Synonyms
- 2-acetonyl-7-hydroxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-on...
- Alofanib (RPT835), Allosteric modulator of fibroblast growth factor receptor 2CAS: 1612888-66-0 Formula: C19H15N3O6S Molecular Weight: 413.4Moligand™ ? 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 #: A421942View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[(4-methyl-2-nitro-5-pyridin-3-ylphenyl)sulfamoyl]benzoic acid
- SMILES
- CC1=CC(=C(C=C1C2=CN=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]
- InChIKey
- QUQGQIASFYWKAB-UHFFFAOYSA-N
- InChI
- 1S/C19H15N3O6S/c1-12-8-18(22(25)26)17(10-16(12)14-5-3-7-20-11-14)21-29(27,28)15-6-2-4-13(9-15)19(23)24/h2-11,21H,1H3,(H,23,24)
- Synonyms
- ES000835 | s8754 | 3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-ylcarbonyl)-1-(5-fluoro-2-meth...
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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.