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
24,639Navigate 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
2,815PROTAC 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
102,615Explore 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
- Metaproterenol Hemisulfate Salt, Beta-2 adrenergic receptor agonist10mM in DMSO◐ .Made to order · 8–12 wks Item #: M580445View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol;sulfuric acid
- SMILES
- CC(C)NCC(C1=CC(=CC(=C1)O)O)O.CC(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O
- InChIKey
- MKFFGUZYVNDHIH-UHFFFAOYSA-N
- InChI
- 1S/2C11H17NO3.H2O4S/c2*1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8;1-5(2,3)4/h2*3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)
- Synonyms
- Metaproterenol sulfate|Orciprenaline sulfate|5874-97-5|Metaproterenol hemisulfate|Metaproterenol hemisulfate salt|Met...
- MK-8722CAS: 1394371-71-1 Formula: C24H20ClN3O4 Molecular Weight: 449.89Liquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: M580440View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3R,3aR,6R,6aR)-6-[[6-chloro-5-(4-phenylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
- SMILES
- C1C(C2C(O1)C(CO2)OC3=NC4=NC(=C(C=C4N3)Cl)C5=CC=C(C=C5)C6=CC=CC=C6)O
- InChIKey
- XQMNBTZLYOOAGA-UGESXGAOSA-N
- InChI
- show more
- Synonyms
- (3R,3aR,6R,6aR)-6-[[6-chloro-5-(4-phenylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]...
- MesaconitineCAS: 2752-64-9 Formula: C33H45NO11 Molecular Weight: 631.7110mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M580444View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6N(C7)C)OC)COC)O)OC
- InChIKey
- XUHJBXVYNBQQBD-TUWOXVOMSA-N
- InChI
- show more
- Synonyms
- Mesaconitine|2752-64-9|CHEBI:6773|N-desethyl-N-methylaconitine|Japaconitine A|Japaconitine B|C08698|CHEMBL3400310|XUH...
- 4-Methyl-2-(1-piperidinyl)-quinoline, Channel blocker of TRPC4;Channel blocker of TRPC5CAS: 5465-86-1 Formula: C15H18N2 Molecular Weight: 226.32Moligand™ ? 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 #: M580282View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-methyl-2-piperidin-1-ylquinoline
- SMILES
- CC1=CC(=NC2=CC=CC=C12)N3CCCCC3
- InChIKey
- USYRQXDHKXGTCK-UHFFFAOYSA-N
- InChI
- 1S/C15H18N2/c1-12-11-15(17-9-5-2-6-10-17)16-14-8-4-3-7-13(12)14/h3-4,7-8,11H,2,5-6,9-10H2,1H3
- Synonyms
- 5465-86-1|ML204|4-methyl-2-(piperidin-1-yl)quinoline|ML 204|4-methyl-2-piperidin-1-ylquinoline|4-Methyl-2-(1-piperidi...
- MK 0677, Ghrelin receptor agonistLiquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: M580439View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methanesulfonic acid
- SMILES
- CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CN(C4=CC=CC=C34)S(=O)(=O)C)N.CS(=O)(=O)O
- InChIKey
- DUGMCDWNXXFHDE-VZYDHVRKSA-N
- InChI
- show more
- Synonyms
- 2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]...
- MYLS22Liquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: M580442View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
- SMILES
- CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=C(S3)N(N=C4C)C5=CC=CC=C5
- InChIKey
- WIEJADKUYLLKPX-UHFFFAOYSA-N
- InChI
- 1S/C24H21N5O2S/c1-15-19-14-20(32-24(19)28(26-15)17-10-6-4-7-11-17)22(30)25-21-16(2)27(3)29(23(21)31)18-12-8-5-9-13-18/h4-14H,1-3H3,(H,25,30)
- Synonyms
- SR-01000410938 | Oprea1_552491 | HY-136446 | AC-36947 | BS-45500 | s9885 | STK374883 | CCG-105016 | MYLS22 | Oprea1_1...
- Maslinic acidCAS: 4373-41-5 Formula: C30H48O4 Molecular Weight: 472.7Liquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: M580443View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C
- InChIKey
- MDZKJHQSJHYOHJ-LLICELPBSA-N
- InChI
- show more
- Synonyms
- Maslinic acid|4373-41-5|Crategolic acid|Maslic acid|Crataegolic acid|Masilinic acid|UNII-E233J88OHQ|E233J88OHQ|CHEBI:...
- MorantelTartrate10mM in DMSO◐ .Made to order · 8–12 wks Item #: M580447View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,3-dihydroxybutanedioic acid;1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine
- SMILES
- CC1=C(SC=C1)C=CC2=NCCCN2C.C(C(C(=O)O)O)(C(=O)O)O
- InChIKey
- GGXQONWGCAQGNA-FXRZFVDSSA-N
- InChI
- 1S/C12H16N2S.C4H6O6/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;5-1(3(7)8)2(6)4(9)10/h4-6,9H,3,7-8H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/b5-4+;
- Synonyms
- SCHEMBL117920 | (E)-1-methyl-2-(2-(3-methylthiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidine 2,3-dihydroxysuccinate |...
- MEPENZOLATE BROMIDE, Muscarinic acetylcholine receptor M1 antagonist10mM in DMSO◐ .Made to order · 8–12 wks Item #: M580582View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate;bromide
- SMILES
- C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-]
- InChIKey
- JRRNZNSGDSFFIR-UHFFFAOYSA-M
- InChI
- 1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1
- Synonyms
- MEPENZOLATE BROMIDE|76-90-4|Cantil|Cantilaque|Colibantil|Cantilon|Colopiril|Gastropidil|Tralanta|Trancolon|Delevil|Ef...
- Mebeverine HydrochlorideCAS: 2753-45-9 EC Number: 220-400-0 PubChem CID: 17683 Formula: C25H35NO5 · HCl Molecular Weight: 466.01Liquid Moligand™ ? 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 #: M580587View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate;hydrochloride
- SMILES
- CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC.Cl
- InChIKey
- PLGQWYOULXPJRE-UHFFFAOYSA-N
- InChI
- 1S/C25H35NO5.ClH/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5;/h9-14,18-19H,6-8,15-17H2,1-5H3;1H
- Synonyms
- 15VZ5AL4JN | MEBEVERINE HYDROCHLORIDE | CSAG 144 | Mebeverine-d6 Hydrochloride | Mebeverine HCl | CAS-2753-45-9 | MLS...
- MDL 28170CAS: 88191-84-8 Formula: C22H26N2O4 Molecular Weight: 382.45Moligand™ ? 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◐ .Made to order · 8–12 wks Item #: M580437View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- benzyl N-[(2S)-3-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]butan-2-yl]carbamate
- SMILES
- CC(C)C(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2
- InChIKey
- NGBKFLTYGSREKK-ANYOKISRSA-N
- InChI
- show more
- Synonyms
- [1-(1-Formyl-2-phenyl-ethylcarbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester | S7394 | SCHEMBL8537196 | MLS00215...
- MIPS521CAS: 1146188-19-3 Formula: C19H10ClF6NOS Molecular Weight: 449.8Liquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: M580438View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone
- SMILES
- C1=CC(=CC=C1C(=O)C2=C(SC=C2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N)Cl
- InChIKey
- IVHJBJJHYFIUOA-UHFFFAOYSA-N
- InChI
- 1S/C19H10ClF6NOS/c20-13-3-1-9(2-4-13)16(28)15-14(8-29-17(15)27)10-5-11(18(21,22)23)7-12(6-10)19(24,25)26/h1-8H,27H2
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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.