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
24,638Navigate 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 for designing and evaluating ADC constructs.
PROTAC
2,815PROTAC and targeted protein degradation tools for discovery research. Browse degrader-related ligands, linkers, and building blocks to assemble or screen PROTAC designs, with clear identifiers for efficient selection.
By Signaling Pathways
102,614Explore 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
- NLX-204CAS: 2170405-10-2 Formula: C20H22ClF2N3O2 Molecular Weight: 409.9◐ .Made to order · 8–12 wks Item #: N412339View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3-chloro-4-fluorophenyl)-[4-fluoro-4-[(2-pyridin-2-yloxyethylamino)methyl]piperidin-1-yl]methanone
- SMILES
- C1CN(CCC1(CNCCOC2=CC=CC=N2)F)C(=O)C3=CC(=C(C=C3)F)Cl
- InChIKey
- ZMEGJWWPDKBOER-UHFFFAOYSA-N
- InChI
- 1S/C20H22ClF2N3O2/c21-16-13-15(4-5-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
- NMDA (N-Methyl-D-aspartic acid)(NMDA), Agonist of GluN1;Agonist of GluN2A;Agonist of GluN2B;Agonist of GluN2C;Agonist of GluN2DCAS: 6384-92-5 Formula: C5H9NO4 Molecular Weight: 147.13Moligand™ ? 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 Item #: N407747View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- D-Aspartic acid, N-methyl-
- NOD-IN-1CAS: 132819-92-2 Formula: C18H17NO4S Molecular Weight: 343.4● In Stock — US Item #: N412112View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate
- SMILES
- CCOC(=O)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C
- InChIKey
- OJMOGUKIYRAILM-UHFFFAOYSA-N
- InChI
- 1S/C18H17NO4S/c1-3-23-18(20)17-12-14-6-4-5-7-16(14)19(17)24(21,22)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3
- Synonyms
- MDK199221H-Indole-2-carboxylic acid | 1-[(4-methylphenyl)sulfonyl]-ethyl ester | Ethyl 1-[(4-methylphenyl)sul...
- NOD-IN-1CAS: 132819-92-2 Formula: C18H17NO4S Molecular Weight: 343.410mM in DMSO● In Stock — US Item #: N421250View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate
- SMILES
- CCOC(=O)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C
- InChIKey
- OJMOGUKIYRAILM-UHFFFAOYSA-N
- InChI
- 1S/C18H17NO4S/c1-3-23-18(20)17-12-14-6-4-5-7-16(14)19(17)24(21,22)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3
- Synonyms
- MDK199221H-Indole-2-carboxylic acid | 1-[(4-methylphenyl)sulfonyl]-ethyl ester | Ethyl 1-[(4-methylphenyl)sul...
- NITD 008CAS: 1044589-82-3 Formula: C13H14N4O4 Molecular Weight: 290.27◐ .Made to order · 8–12 wks Item #: N286837View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol
- SMILES
- C#CC1(C(C(OC1N2C=CC3=C(N=CN=C32)N)CO)O)O
- InChIKey
- NKRAIOQPSBRMOV-NRMKKVEVSA-N
- InChI
- 1S/C13H14N4O4/c1-2-13(20)9(19)8(5-18)21-12(13)17-4-3-7-10(14)15-6-16-11(7)17/h1,3-4,6,8-9,12,18-20H,5H2,(H2,14,15,16)/t8-,9-,12-,13-/m1/s1
- Synonyms
- 7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 7-(2-c-ethynyl-beta-D-ribofuranosyl)- | LKI7T3WQ2E | 1044589-82-3 | UNII-LKI7T3WQ...
- NP-G2-044CAS: 1807454-59-6 Formula: C21H16F3N3O2 Molecular Weight: 399.3710mM in DMSO● In Stock — US Item #: N422214View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
- SMILES
- CC1=C(C=CO1)C(=O)NC2=NN(C3=CC=CC=C32)CC4=CC=C(C=C4)C(F)(F)F
- InChIKey
- XLLRLAABUFOJPC-UHFFFAOYSA-N
- InChI
- 1S/C21H16F3N3O2/c1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,26,28)
- Synonyms
- AKOS040759669 | 2-Methyl-N-(1-(4-(trifluoromethyl)benzyl)-1H-indazol-3-yl)furan-3-carboxamide | DTXSID801127289 | NP-...
- NP-G2-044CAS: 1807454-59-6 Formula: C21H16F3N3O2 Molecular Weight: 399.37● In Stock — US Item #: N412831View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
- SMILES
- CC1=C(C=CO1)C(=O)NC2=NN(C3=CC=CC=C32)CC4=CC=C(C=C4)C(F)(F)F
- InChIKey
- XLLRLAABUFOJPC-UHFFFAOYSA-N
- InChI
- 1S/C21H16F3N3O2/c1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,26,28)
- Synonyms
- AKOS040759669 | 2-Methyl-N-(1-(4-(trifluoromethyl)benzyl)-1H-indazol-3-yl)furan-3-carboxamide | DTXSID801127289 | NP-...
- NPD8733CAS: 696655-62-6 Formula: C18H15NO4 Molecular Weight: 309.32● In Stock — US Item #: N413108View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide
- SMILES
- CC(=O)NC1=C(OC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)OC
- InChIKey
- NQZBUYPGHZTWIR-UHFFFAOYSA-N
- InChI
- 1S/C18H15NO4/c1-11(20)19-16-14-5-3-4-6-15(14)23-18(16)17(21)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,19,20)
- Synonyms
- N-[2-(4-Methoxybenzoyl)-3-benzofuranyl]acetamide
- NPD8733CAS: 696655-62-6 Formula: C18H15NO4 Molecular Weight: 309.3210mM in DMSO● In Stock — US Item #: N425576View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide
- SMILES
- CC(=O)NC1=C(OC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)OC
- InChIKey
- NQZBUYPGHZTWIR-UHFFFAOYSA-N
- InChI
- 1S/C18H15NO4/c1-11(20)19-16-14-5-3-4-6-15(14)23-18(16)17(21)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,19,20)
- Synonyms
- N-[2-(4-Methoxybenzoyl)-3-benzofuranyl]acetamide
- NPS-1034CAS: 1221713-92-3 Formula: C31H23F2N5O3 Molecular Weight: 551.54● In Stock — US Item #: N413807View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
- SMILES
- CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C5C(=CNC5=NC=C4)C6=CC=CC=C6)F
- InChIKey
- RGAZVGZUBCFHRJ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- N-(3-fluoro-4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl)-2-(4-fluorophenyl)-1,5-dimethyl-3-oxo-2,3-dihydro-1H...
- NPS-1034CAS: 1221713-92-3 Formula: C31H23F2N5O3 Molecular Weight: 551.5410mM in DMSO● In Stock — US Item #: N420953View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
- SMILES
- CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C5C(=CNC5=NC=C4)C6=CC=CC=C6)F
- InChIKey
- RGAZVGZUBCFHRJ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- N-(3-fluoro-4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl)-2-(4-fluorophenyl)-1,5-dimethyl-3-oxo-2,3-dihydro-1H...
- NITD-349CAS: 1473450-62-2 Formula: C17H20F2N2O Molecular Weight: 306.35● In Stock — US Item #: N412400View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide
- SMILES
- CC1(CCC(CC1)NC(=O)C2=CC3=C(N2)C=C(C=C3F)F)C
- InChIKey
- UATYSFRIVIHVKL-UHFFFAOYSA-N
- InChI
- 1S/C17H20F2N2O/c1-17(2)5-3-11(4-6-17)20-16(22)15-9-12-13(19)7-10(18)8-14(12)21-15/h7-9,11,21H,3-6H2,1-2H3,(H,20,22)
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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.