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
- GSK J4 HCl (GSKJ4 HCl)CAS: 1797983-09-5 Formula: C24H28ClN5O2 Molecular Weight: 453.9610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: G408916View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- β-Alanine, N-[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-, ethyl ester, hydrochloride...
- GNE-493CAS: 1033735-94-2 Formula: C17H20N6O2S Molecular Weight: 372.4510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: G420415View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
- SMILES
- CC(C)(C1=CC2=C(S1)C(=NC(=N2)C3=CN=C(N=C3)N)N4CCOCC4)O
- InChIKey
- LEXMMFPAPDGYGZ-UHFFFAOYSA-N
- InChI
- 1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20)
- Synonyms
- HMS3244F03 | FT-0767202 | MFCD18251526 | THIENO(3,2-D)PYRIMIDINE-6-METHANOL, 2-(2-AMINO-5-PYRIMIDINYL)-.ALPHA.,.ALPHA...
- GNE-9605, Inhibitor of leucine rich repeat kinase 2CAS: 1536200-31-3 Formula: C17H20ClF4N7O Molecular Weight: 449.83Moligand™ ? 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 #: G421824View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
- SMILES
- CNC1=NC(=NC=C1C(F)(F)F)NC2=C(N(N=C2)C3CCN(CC3F)C4COC4)Cl
- InChIKey
- PUXPEQJKNAWNQA-AAEUAGOBSA-N
- InChI
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- Synonyms
- N2-(5-chloro-1-(3-fluoro-1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-4-yl)-N4-methyl-5-(trifluoromethyl)pyrimidine-2,4-...
- GNE7915, Inhibitor of leucine rich repeat kinase 2;Inhibitor of TTK protein kinaseCAS: 1351761-44-8 Formula: C19H21F4N5O3 Molecular Weight: 443.4Moligand™ ? 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◐ .Made to order · 8–12 wks Item #: G421335View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
- SMILES
- CCNC1=NC(=NC=C1C(F)(F)F)NC2=C(C=C(C(=C2)F)C(=O)N3CCOCC3)OC
- InChIKey
- XCFLWTZSJYBCPF-UHFFFAOYSA-N
- InChI
- 1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)
- Synonyms
- [4-[[4-(Ethylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-2-fluoro-5-methoxyphenyl]-4-morpholinyl-methanone;(4-((4...
- GNF 5837, Inhibitor of neurotrophic receptor tyrosine kinase 1;Inhibitor of neurotrophic receptor tyrosine kinase 2;Inhibitor of neurotrophic receptor tyrosine kinase 3;Inhibitor of lanosterol synthaseMoligand™ ? 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 #: G420417View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-methyl-3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
- SMILES
- CC1=C(C=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)F)NC3=CC4=C(C=C3)C(=CC5=CC=CN5)C(=O)N4
- InChIKey
- YYDUWLSETXNJJT-MTJSOVHGSA-N
- InChI
- show more
- Synonyms
- 1033769-28-6 | BDBM50384727 | YYDUWLSETXNJJT-MTJSOVHGSA-N | A896483 | Q27077827 | (Z)-1-(3-((3-((1H-pyrrol-2-yl)methy...
- GNF351CAS: 1227634-69-6 Formula: C24H25N7 Molecular Weight: 411.510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: G420977View 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
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- Synonyms
- 9H-Purin-6-amine,N-[2-(1H-indol-3-yl)ethyl]-9-(1-methylethyl)-2-(5-methyl-3-pyridinyl)-
- GO-20310mM in Water● In Stock — US warehouse, ships to EU* Item #: G420957View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
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- InChIKey
- WIUOAIBLROIIFP-BHDSHVNUSA-N
- InChI
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- GSK180736A (GSK180736)CAS: 817194-38-0 Formula: C19H16FN5O2 Molecular Weight: 365.3610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: G426113View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
- SMILES
- CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)NN=C4
- InChIKey
- HEAIGWIZTYAQTC-UHFFFAOYSA-N
- InChI
- 1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
- Synonyms
- 5-Pyrimidinecarboxamide,4-(4-fluorophenyl)-1,2,3,4-tetrahydro-N-1H-indazol-5-yl-6-methyl-2-oxo-
- GSK180736A (GSK180736)CAS: 817194-38-0 Formula: C19H16FN5O2 Molecular Weight: 365.36● In Stock — US warehouse, ships to EU* Item #: G414025View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
- SMILES
- CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)NN=C4
- InChIKey
- HEAIGWIZTYAQTC-UHFFFAOYSA-N
- InChI
- 1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
- Synonyms
- 5-Pyrimidinecarboxamide,4-(4-fluorophenyl)-1,2,3,4-tetrahydro-N-1H-indazol-5-yl-6-methyl-2-oxo-修改下顺序...
- GSK1838705A, Inhibitor of ALK receptor tyrosine kinase;Inhibitor of Insulin-like growth factor I receptor;Inhibitor of Insulin receptor;Inhibitor of ribosomal protein S6 kinase A1CAS: 1116235-97-2 Formula: C27H29FN8O3 Molecular Weight: 532.57Moligand™ ? 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 #: G408364View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 2-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-6-fluoro-N-methyl...
- GSK-F1CAS: 1402345-92-9 Formula: C27H18F5N5O4S Molecular Weight: 603.52● In Stock — US warehouse, ships to EU* Item #: G413022View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[2-amino-4-oxo-3-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide
- SMILES
- COC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=C(N(C3=O)C4=CC=CC=C4C(F)(F)F)N)S(=O)(=O)NC5=C(C=C(C=C5)F)F
- InChIKey
- MSRFVAYVUUHQCN-UHFFFAOYSA-N
- InChI
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- GSK-J1, Inhibitor of lysine demethylase 5A;Inhibitor of lysine demethylase 5B;Inhibitor of lysine demethylase 5C;Inhibitor of lysine demethylase 6A;Inhibitor of lysine demethylase 6BMoligand™ ? 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 #: G421415View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid
- SMILES
- C1CN(CCC2=CC=CC=C21)C3=NC(=NC(=C3)NCCC(=O)O)C4=CC=CC=N4
- InChIKey
- AVZCPICCWKMZDT-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- EX-A1744 | 3-((2-(Pyridin-2-yl)-6-(1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)pyrimidin-4-yl)amino)propanoic acid | 3-...
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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.