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
102,662Explore 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
- NS-1619, Activator of K Ca1.1;Activator of K Ca5.1CAS: 153587-01-0 Formula: C15H8F6N2O2 Molecular Weight: 362.23Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%● In Stock — US warehouse, ships to EU* Item #: H131759View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
- SMILES
- C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2C3=C(C=CC(=C3)C(F)(F)F)O
- InChIKey
- YLFMCMWKHSDUCT-UHFFFAOYSA-N
- InChI
- 1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)
- Synonyms
- J-009032 | KBio3_000289 | KBio2_002713 | NCGC00015720-11 | NCGC00094210-03 | 1-[2-hydroxy-5-(trifluoromethyl)phenyl]-...
- CFTR(inh)-172● In Stock — US warehouse, ships to EU* Item #: C169456View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(Z)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
- SMILES
- C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S)C(F)(F)F
- InChIKey
- JIMHYXZZCWVCMI-ZSOIEALJSA-N
- InChI
- 1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-
- Synonyms
- HY-16671 | CFinh-172 | EX-A2298 | 4-[4-Oxo-2-thioxo-3-(3-trifluoromethyl-phenyl)-thiazolidin-5Z)-ylidenemethyl]-benzo...
- GliquidoneSolid ≥98%● In Stock — US warehouse, ships to EU* Item #: G129565View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea
- SMILES
- CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4)C
- InChIKey
- LLJFMFZYVVLQKT-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 3-FORMYLTHIOPHEN-2-YL-2-BORONIC ACID | BRD-K80396088-001-03-9 | AC-23356 | Boronic acid, B-(4-methoxy-2-methylphenyl)...
- Dehydrocholic acid● In Stock — US warehouse, ships to EU* Item #: D110334View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
- SMILES
- CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C
- InChIKey
- OHXPGWPVLFPUSM-KLRNGDHRSA-N
- InChI
- show more
- Synonyms
- MLS000069501 | NSC8796 | NSC-8796 | 4-10-00-03478 (Beilstein Handbook Reference) | Drenobyl | HMS3712I08 | 3,12-Triox...
- NSC 617145CAS: 203115-63-3 Formula: C13H10Cl4N2O4 Molecular Weight: 400.04● In Stock — US warehouse, ships to EU* Item #: N287960View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,4-dichloro-1-[3-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-2,2-dimethylpropyl]pyrrole-2,5-dione
- SMILES
- CC(C)(CN1C(=O)C(=C(C1=O)Cl)Cl)CN2C(=O)C(=C(C2=O)Cl)Cl
- InChIKey
- PCOXPBOKDABARQ-UHFFFAOYSA-N
- InChI
- 1S/C13H10Cl4N2O4/c1-13(2,3-18-9(20)5(14)6(15)10(18)21)4-19-11(22)7(16)8(17)12(19)23/h3-4H2,1-2H3
- Synonyms
- NCI60_005124 | AS-16510 | EX-A5305 | NCGC00402281-06 | SY309948 | NSC617145 | NSC-617145 | 1,1'-(2,2-Dimethylpropane-...
- Delapril HydrochlorideCAS: 83435-67-0 EC Number: 801-621-7 PubChem CID: 5362115 Formula: C26H32N2O5·HCl Molecular Weight: 489.01● In Stock — US warehouse, ships to EU* Item #: D154264View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid;hydrochloride
- SMILES
- CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2.Cl
- InChIKey
- FDJCVHVKXFIEPJ-JCNFZFLDSA-N
- InChI
- show more
- Synonyms
- Glycine, N-(2,3-dihydro-1H-inden-2-yl)-N-(N-(1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-, monohydrochloride, (S)- |...
- NTNCB hydrochloride● In Stock — US warehouse, ships to EU* Item #: N288065View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-nitro-N-[[4-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide;hydrochloride
- SMILES
- C1CC(CCC1CNCC2CCC3=CC=CC=C3C2)CNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-].Cl
- InChIKey
- BKCQHNDMUNWNQC-UHFFFAOYSA-N
- InChI
- 1S/C25H33N3O4S.ClH/c29-28(30)24-7-3-4-8-25(24)33(31,32)27-18-20-11-9-19(10-12-20)16-26-17-21-13-14-22-5-1-2-6-23(22)15-21;/h1-8,19-21,26-27H,9-18H2;1H
- Synonyms
- 2-nitro-N-[[4-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide;hydrochlorid...
- Protein kinase inhibitor H-7 dihydrochloride● In Stock — US warehouse, ships to EU* Item #: H276407View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline;dihydrochloride
- SMILES
- CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl
- InChIKey
- OARGPFMFRLLKPF-UHFFFAOYSA-N
- InChI
- 1S/C14H17N3O2S.2ClH/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14;;/h2-6,10-11,16H,7-9H2,1H3;2*1H
- Synonyms
- ethyl3-aminobenzoate | H-7, Dihydrochloride - CAS 108930-17-2 | SR-01000000121-2 | H7 dihydrochloride | H-7 dihydroch...
- ObacunoneCAS: 751-03-1 Formula: C26H30O7 Molecular Weight: 454.51Solid Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.● In Stock — US warehouse, ships to EU* Item #: O304552View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione
- SMILES
- CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C
- InChIKey
- MAYJEFRPIKEYBL-OASIGRBWSA-N
- InChI
- show more
- Synonyms
- OBACUNON | AI3-37934 | (1S,3aS,4aR,4bR,6aR,11aR,11bR,13aS)-1-(furan-3-yl)-4b,7,7,11a,13a-pentamethyl-1,6a,7,11a,11b,1...
- NSC 663284 (DA3003-1)● In Stock — US warehouse, ships to EU* Item #: N275722View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-chloro-7-(2-morpholin-4-ylethylamino)quinoline-5,8-dione
- SMILES
- C1COCCN1CCNC2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl
- InChIKey
- BMKPVDQDJQWBPD-UHFFFAOYSA-N
- InChI
- 1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-3,18H,4-9H2
- Synonyms
- NCGC00092289-02 | 6-Chloro-7-[[2-(4-morpholinyl)ethyl]amino]-5,8-quinolinedione | NCI60_021732 | 5,6-chloro-7-[[2-(4-...
- NSC 95397CAS: 93718-83-3 Formula: C14H14O4S2 Molecular Weight: 310.38● In Stock — US warehouse, ships to EU* Item #: N287566View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione
- SMILES
- C1=CC=C2C(=C1)C(=O)C(=C(C2=O)SCCO)SCCO
- InChIKey
- MAASHDQFQDDECQ-UHFFFAOYSA-N
- InChI
- 1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
- Synonyms
- KBioGR_000495 | NCGC00025211-02 | SMR001230781 | NSC 95397 | HMS3412J11 | SR-01000075930-7 | AS-81945 | KBio2_000495 ...
- NSC-687852◐ .Made to order · 8–12 wks Item #: N275726View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- (3E,5E)-3,5-Bis[(4-nitrophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
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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.