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).
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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
24,653Navigate 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
2,812PROTAC 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
102,663Explore 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)
19,717Find 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 (where available)—to build screening and validation sets.
By Disease (DOID)
8,794Shop 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.
Popular Products
- ML 00253764 hydrochlorideCAS: 1706524-94-8 Formula: C18H18BrFN2O•HCl Molecular Weight: 413.71◐ .Made to order · 8–12 wks Item #: M287270View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride
- SMILES
- COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2F)C3=NCCN3.Cl
- InChIKey
- KZUMGPQDDCBFBF-UHFFFAOYSA-N
- InChI
- 1S/C18H18BrFN2O.ClH/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18;/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22);1H
- Synonyms
- 2-[2-[2-(5-Bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-2-1H-imidazole hydrochloride | ML-00253764 hydroc...
- ML 141CAS: 71203-35-5 Formula: C22H21N3O3S Molecular Weight: 407.49● In Stock — US Item #: M275404View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
- SMILES
- COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4
- InChIKey
- QBNZBMVRFYREHK-UHFFFAOYSA-N
- InChI
- 1S/C22H21N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
- Synonyms
- 4-[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide | 4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihy...
- ML 145CAS: 1164500-72-4 Formula: C24H22N2O5S2 Molecular Weight: 482.57◐ .Made to order · 8–12 wks Item #: M287781View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-hydroxy-4-[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
- SMILES
- CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=C(C=C3)C(=O)O)O
- InChIKey
- COFMYJWNXSFLKQ-QIROLCGISA-N
- InChI
- show more
- Synonyms
- 2-Hydroxy-4-[4-(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamin...
- ML 154CAS: 1345964-89-7 Formula: C29H26BrN2PS Molecular Weight: 545.47● In Stock — US Item #: M286552View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [2-methyl-1-[(E)-3-phenylprop-2-enyl]imidazo[1,2-a]pyridin-4-ium-3-yl]-diphenyl-sulfanylidene-λ5-phosphane;bromide
- SMILES
- CC1=C([N+]2=CC=CC=C2N1CC=CC3=CC=CC=C3)P(=S)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]
- InChIKey
- CJAQCMBWGUOBIX-ZUQRMPMESA-M
- InChI
- show more
- Synonyms
- NCGC 00185684 | SMR001566914 | QF6BKX96N5 | NCGC00185684-01 | 3-(Diphenylphosphorothioyl)-2-methyl-1-(3-phenylallyl)i...
- ML 179● In Stock — US Item #: M288627View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-cyclohexyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-diazinane-2,4-dione
- SMILES
- C1CCC(CC1)N2C(=O)CC(NC2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
- InChIKey
- KTWKLBPBUXCXRG-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 2,5-Furandione-3,4-d2 | 3-Cyclohexyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
- ML133 HClSolid ≥98%● In Stock — US Item #: M129577View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride
- SMILES
- COC1=CC=C(C=C1)CNCC2=CC=CC3=CC=CC=C32.Cl
- InChIKey
- NGQIBUUFXDPHKT-UHFFFAOYSA-N
- InChI
- 1S/C19H19NO.ClH/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17;/h2-12,20H,13-14H2,1H3;1H
- Synonyms
- GS-6210 | N-[(4-Methoxyphenyl)methyl]-1-naphthalenemethanamine hydrochloride | N-[(4-methoxyphenyl)methyl]-1-naphthal...
- MK 0524 sodium salt◐ .Made to order · 8–12 wks Item #: M332349View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetate
- SMILES
- CS(=O)(=O)C1=CC(=CC2=C1N(C3=C2CCC3CC(=O)[O-])CC4=CC=C(C=C4)Cl)F.[Na+]
- InChIKey
- DWCYUNBVZHNVET-BTQNPOSSSA-M
- InChI
- show more
- Synonyms
- Laropiprant
- MK 212 hydrochlorideCAS: 61655-58-1 EC Number: 262-883-0 PubChem CID: 198421 Formula: C8H12Cl2N4 Molecular Weight: 235.11Solid ≥99%● In Stock — US Item #: M276020View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-chloro-6-piperazin-1-ylpyrazine;hydrochloride
- SMILES
- C1CN(CCN1)C2=CN=CC(=N2)Cl.Cl
- InChIKey
- PFIZGLUIYAZQFU-UHFFFAOYSA-N
- InChI
- 1S/C8H11ClN4.ClH/c9-7-5-11-6-8(12-7)13-3-1-10-2-4-13;/h5-6,10H,1-4H2;1H
- Synonyms
- MK-212 HCl | T0294 | Q27269784 | PFIZGLUIYAZQFU-UHFFFAOYSA-N | DTXSID60210668 | PYRAZINE, 2-CHLORO-6-(1-PIPERAZINYL)-...
- MK-0591CAS: 136668-42-3 Formula: C34H35ClN2O3S Molecular Weight: 587.17● In Stock — US Item #: M125295View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
- SMILES
- CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)O
- InChIKey
- NZOONKHCNQFYCI-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- SB19076 | MK 0591 | 3-(tert-Butylthio)-1-(p-chlorobenzyl)-alpha,alpha-dimethyl-5-(2-quinolylmethoxy)indole-2-propioni...
- NK 252CAS: 1414963-82-8 Formula: C13H11N5O3 Molecular Weight: 285.26◐ .Made to order · 8–12 wks Item #: N287824View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(pyridin-2-ylmethyl)urea
- SMILES
- C1=CC=NC(=C1)CNC(=O)NC2=NN=C(O2)C3=CC=CO3
- InChIKey
- FNSCFQXZZNCDAI-UHFFFAOYSA-N
- InChI
- 1S/C13H11N5O3/c19-12(15-8-9-4-1-2-6-14-9)16-13-18-17-11(21-13)10-5-3-7-20-10/h1-7H,8H2,(H2,15,16,18,19)
- Synonyms
- DTXSID301020703 | NCGC00387474-01 | 1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(pyridin-2-ylmethyl)urea | N-[5-(2-Fura...
- Gabapentin HClCAS: 60142-95-2 Formula: C9H17NO2.HCl Molecular Weight: 207.7● In Stock — US Item #: E129603View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride
- SMILES
- C1CCC(CC1)(CC(=O)O)CN.Cl
- InChIKey
- XBUDZAQEMFGLEU-UHFFFAOYSA-N
- InChI
- 1S/C9H17NO2.ClH/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H
- Synonyms
- 1-aminomethyl-1-cyclohexaneacetic acid hydrochloride | 1-aminomethyl-1-cyclohexane-acetic acid hydrochloride | 1amino...
- GardiquimodSolid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%● In Stock — US Item #: G274801View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
- SMILES
- CCNCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N
- InChIKey
- FHJATBIERQTCTN-UHFFFAOYSA-N
- InChI
- 1S/C17H23N5O/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20)
- Synonyms
- 1-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol | 1-(4-amino-2-((ethylamino)methyl)-1...
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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.