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).
Targets & Pathways
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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
- GSK 2837808ACAS: 1445879-21-9 Formula: C31H25F2N5O7S Molecular Weight: 649.62● In Stock — US warehouse, ships to EU* Item #: G288241View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[[3-(cyclopropylsulfamoyl)-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino]-5-(3,5-difluorophenoxy)benzoic acid
- SMILES
- COC1=NC(=NC=C1C2=CC3=NC=C(C(=C3C=C2)NC4=CC(=CC(=C4)C(=O)O)OC5=CC(=CC(=C5)F)F)S(=O)(=O)NC6CC6)OC
- InChIKey
- RZBCPMYJIARMGV-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 3-[[3-[(Cyclopropylamino)sulfonyl]-7-(2,4-dimethoxy-5-pyrimidinyl)-4-quinolinyl]amino]-5-(3,5-difluorophenoxy)benzoic...
- GNF-2Moligand™ ? 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 #: G425919View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
- SMILES
- C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F
- InChIKey
- WEVYNIUIFUYDGI-UHFFFAOYSA-N
- InChI
- 1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
- Synonyms
- GNF-2|778270-11-4|3-(6-((4-(Trifluoromethoxy)phenyl)amino)pyrimidin-4-yl)benzamide|GNF 2|GNF2|3-[6-[4-(trifluorometho...
- GNF-6231, Inhibitor of porcupine O-acyltransferaseCAS: 1243245-18-2 Formula: C24H25FN6O2 Molecular Weight: 448.49Moligand™ ? 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 #: G421042View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[5-(4-acetylpiperazin-1-yl)pyridin-2-yl]-2-[6-(2-fluoropyridin-4-yl)-5-methylpyridin-3-yl]acetamide
- SMILES
- CC1=CC(=CN=C1C2=CC(=NC=C2)F)CC(=O)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)C
- InChIKey
- AXXNRMISICMFNS-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- [2,4'-Bipyridine]-5-acetamide,N-[5-(4-acetyl-1-piperazinyl)-2-pyridinyl]-2'-fluoro-3-methyl-
- GNF-710mM in DMSO● In Stock — US warehouse, ships to EU* Item #: G426182View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-methyl-3-[1-methyl-7-[(6-methylpyridin-3-yl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
- SMILES
- CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CN=C(C=C5)C
- InChIKey
- SZNYUUZOQHNEKB-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- N-(4-Methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)phenyl)-3-(t...
- GNF351CAS: 1227634-69-6 Formula: C24H25N7 Molecular Weight: 411.5● In Stock — US warehouse, ships to EU* Item #: G413679View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-(1H-indol-3-yl)ethyl]-2-(5-methylpyridin-3-yl)-9-propan-2-ylpurin-6-amine
- SMILES
- CC1=CC(=CN=C1)C2=NC(=C3C(=N2)N(C=N3)C(C)C)NCCC4=CNC5=CC=CC=C54
- InChIKey
- ABXIUYMKZDZUDC-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- N-[2-(1H-indol-3-yl)ethyl]-2-(5-methylpyridin-3-yl)-9-propan-2-ylpurin-6-amine | N-(2-(1H-indol-3-yl)ethyl)-9-isoprop...
- GOT1 inhibitor 2cCAS: 732973-87-4 Formula: C19H19ClN4O Molecular Weight: 354.83● In Stock — US warehouse, ships to EU* Item #: G412697View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide
- SMILES
- C1CN(CCN1C2=CC=CC3=C2C=CN3)C(=O)NC4=CC=C(C=C4)Cl
- InChIKey
- VVVZKBOSNCHQEJ-UHFFFAOYSA-N
- InChI
- 1S/C19H19ClN4O/c20-14-4-6-15(7-5-14)22-19(25)24-12-10-23(11-13-24)18-3-1-2-17-16(18)8-9-21-17/h1-9,21H,10-13H2,(H,22,25)
- Synonyms
- GOT1 inhibitor-1
- GS-444217, Inhibitor of mitogen-activated protein kinase kinase kinase 5CAS: 1262041-49-5 Formula: C23H21N7O Molecular Weight: 411.46Moligand™ ? 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 #: G421098View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
- SMILES
- C1CC1C2=CN(C=N2)C3=CC(=NC=C3)C(=O)NC4=CC=CC(=C4)C5=NN=CN5C6CC6
- InChIKey
- ZGCMQKWOUIMBEP-UHFFFAOYSA-N
- InChI
- 1S/C23H21N7O/c31-23(20-11-19(8-9-24-20)29-12-21(25-13-29)15-4-5-15)27-17-3-1-2-16(10-17)22-28-26-14-30(22)18-6-7-18/h1-3,8-15,18H,4-7H2,(H,27,31)
- Synonyms
- GS444217 | GS 444217 | ASK1-IN-1
- GSK 2193874, Channel blocker of TRPV4Moligand™ ? 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 #: G421274View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-bromo-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
- SMILES
- C1CCN(CC1)C2CCN(CC2)CC3=C(C4=C(C=C(C=C4)Br)N=C3C5=CC(=CC=C5)C(F)(F)F)C(=O)NC6(CC6)C7=CC=CC=C7
- InChIKey
- UIVOZBSCHXCGPS-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- GSK2193874 | GSK-2193874 | GTPL6465 | NCGC00370767-01 | 3-([1,4'-Bipiperidin]-1'-ylmethyl)-7-bromo-N-(1-phenylcyclopr...
- GS-7340, Human immunodeficiency virus type 1 reverse transcriptase inhibitor10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: G423709View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
- SMILES
- CC(C)OC(=O)C(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OC3=CC=CC=C3
- InChIKey
- LDEKQSIMHVQZJK-CAQYMETFSA-N
- InChI
- show more
- Synonyms
- TENOFOVIR ALAFENAMIDE [MI] | 1ST157798D5 | NCGC00390564-03 | (S)-Isopropyl 2-((S)-(((R)-1-(6-amino-9H-purin-9-yl)prop...
- GSK 583, Inhibitor of receptor interacting serine/threonine kinase 2CAS: 1346547-00-9 Formula: C20H19FN4O2S Molecular Weight: 398.45Moligand™ ? 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 #: G421308View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-tert-butylsulfonyl-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine
- SMILES
- CC(C)(C)S(=O)(=O)C1=CC2=C(C=CN=C2C=C1)NC3=NNC4=C3C=C(C=C4)F
- InChIKey
- XLOGLWKOHPIJLV-UHFFFAOYSA-N
- InChI
- 1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)
- Synonyms
- 6-[(1,1-Dimethylethyl)sulfonyl]-N-(5-fluoro-1H-indazol-3-yl)-4-quinolinamine
- GSK 5959, bromodomain and PHD finger containing 1;Inhibitor of bromodomain containing 4CAS: 901245-65-6 Formula: C22H26N4O3 Molecular Weight: 394.47Moligand™ ? 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 #: G426776View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide
- SMILES
- CN1C2=C(C=C(C(=C2)NC(=O)C3=CC=CC=C3OC)N4CCCCC4)N(C1=O)C
- InChIKey
- LTUGYAOMCKNTGG-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- N-[2,3-Dihydro-1,3-dimethyl-2-oxo-6-(1-piperidinyl)-1H-benzimidazol-5-yl]-2-methoxybenzamide;GSK5959;N-(1,3-dimethyl-...
- GSK 626616● In Stock — US warehouse, ships to EU* Item #: G302093View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one
- SMILES
- C1=CC(=C(C(=C1)Cl)N=C2NC(=O)C(=CC3=CC4=NC=CN=C4C=C3)S2)Cl
- InChIKey
- RJPNRXFBYZVRIB-DHDCSXOGSA-N
- InChI
- 1S/C18H10Cl2N4OS/c19-11-2-1-3-12(20)16(11)23-18-24-17(25)15(26-18)9-10-4-5-13-14(8-10)22-7-6-21-13/h1-9H,(H,23,24,25)/b15-9-
- Synonyms
- (5Z)-2-(2,6-dichloroanilino)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazol-4-one | Z3476101065 | 1025821-33-3 | GSK62661...
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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.
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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.