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
24,635Navigate 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 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 to assemble or screen PROTAC designs, with clear identifiers for efficient selection.
By Signaling Pathways
102,620Explore 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)
19,695Find 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
- A-1155463CAS: 1235034-55-5 Formula: C35H32FN5O4S2 Molecular Weight: 669.79Solid ≥97%● In Stock — US Item #: A276431View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CN(C)CC#CC1=CC(=C(C=C1)OCCCC2=C(N=C(S2)N3CCC4=C(C3)C(=CC=C4)C(=O)NC5=NC6=CC=CC=C6S5)C(=O)O)F
- InChIKey
- SOYCFODXNRVBTI-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- A 1155463 | 2-(8-(Benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-(4-(3-(dimethylamino)prop-1-yn...
- A-205804CAS: 251992-66-2 Formula: C15H12N2OS2 Molecular Weight: 300.39Liquid 10mM in DMSO● In Stock — US Item #: A407828View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Thieno[2,3-c]pyridine-2-carboxamide, 4-[(4-methylphenyl)thio]-
- A-317491, Antagonist of P2X3CAS: 475205-49-3 Formula: C33H27NO8 Molecular Weight: 565.57Moligand™ ? 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 Item #: A424133View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[(3-phenoxyphenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
- SMILES
- C1CC(C2=CC=CC=C2C1)N(CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)C5=CC(=C(C=C5C(=O)O)C(=O)O)C(=O)O
- InChIKey
- VQGBOYBIENNKMI-LJAQVGFWSA-N
- InChI
- show more
- Synonyms
- FT-0640160 | GTPL5407 | UNII-H327N08IPV | 5-[(3-phenoxyphenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoy...
- A-674563, Inhibitor of AKT serine/threonine kinase 1CAS: 552325-73-2 Formula: C22H22N4O Molecular Weight: 358.44Moligand™ ? 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 #: A424707View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-1-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-phenylpropan-2-amine
- SMILES
- CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CC=CC=C4)N
- InChIKey
- BPNUQXPIQBZCMR-IBGZPJMESA-N
- InChI
- 1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
- Synonyms
- Benzeneethanamine, alpha-(((5-(3-methyl-1H-indazol-5-yl)-3-pyridinyl)oxy)methyl)-, (alphaS)- | NCGC00263147-01 | (.AL...
- A2764 dihydrochlorideSolid ≥99%● In Stock — US Item #: A412519View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(5-chloroquinolin-8-yl)oxy-N,N-diethylethanamine;dihydrochloride
- SMILES
- CCN(CC)CCOC1=C2C(=C(C=C1)Cl)C=CC=N2.Cl.Cl
- InChIKey
- ZVRDPULCSHGKBD-UHFFFAOYSA-N
- InChI
- 1S/C15H19ClN2O.2ClH/c1-3-18(4-2)10-11-19-14-8-7-13(16)12-6-5-9-17-15(12)14;;/h5-9H,3-4,10-11H2,1-2H3;2*1H
- Synonyms
- Ethanamine,2-[(5-chloro-8-quinolinyl)oxy]-N,N-diethyl-,hydrochloride (1:2)
- A2793● In Stock — US Item #: A412435View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 2-(5-chloroquinolin-8-yl)oxyacetate
- SMILES
- CCOC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2
- InChIKey
- JEMXUSHXYOXNFL-UHFFFAOYSA-N
- InChI
- 1S/C13H12ClNO3/c1-2-17-12(16)8-18-11-6-5-10(14)9-4-3-7-15-13(9)11/h3-7H,2,8H2,1H3
- Synonyms
- ethyl 2-[(5-chloroquinolin-8-yl)oxy]acetate | Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, ethyl ester | DTXSID4062030...
- ABX-1431, Inhibitor of αβ-Hydrolase 6;Inhibitor of Monoacylglycerol lipase;Inhibitor of PLA 2-G7Moligand™ ? 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 #: A421645View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
- SMILES
- C1CCN(C1)C2=C(C=CC(=C2)C(F)(F)F)CN3CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F
- InChIKey
- SQZJGTOZFRNWCX-UHFFFAOYSA-N
- InChI
- 1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2
- Synonyms
- 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(2-(pyrrolidin-1-yl)-4-(trifluoromethyl)benzyl)piperazine-1-carboxylate | BS-1574...
- A939572● In Stock — US Item #: S275175View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
- SMILES
- CNC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)OC3=CC=CC=C3Cl
- InChIKey
- DPYTYQFYDLYWHZ-UHFFFAOYSA-N
- InChI
- 1S/C20H22ClN3O3/c1-22-19(25)14-5-4-6-15(13-14)23-20(26)24-11-9-16(10-12-24)27-18-8-3-2-7-17(18)21/h2-8,13,16H,9-12H2,1H3,(H,22,25)(H,23,26)
- Synonyms
- BDBM50261716 | C71136 | AKOS022179820 | 1032229-33-6 | SCHEMBL14554165 | BCP27670 | DTXSID40648006 | 1-Piperidinecarb...
- AA26-9CAS: 1312782-34-5 Formula: C7H10N4O Molecular Weight: 166.18● In Stock — US Item #: A412299View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- pyrrolidin-1-yl(triazol-1-yl)methanone
- SMILES
- C1CCN(C1)C(=O)N2C=CN=N2
- InChIKey
- IFXGAMVQLDJRBQ-UHFFFAOYSA-N
- InChI
- 1S/C7H10N4O/c12-7(10-4-1-2-5-10)11-6-3-8-9-11/h3,6H,1-2,4-5H2
- Synonyms
- pyrrolidin-1-yl(1H-1,2,3-triazol-1-yl)methanone | 1-pyrrolidinyl-1H-1,2,3-triazol-1-yl-methanone
- AA92593CAS: 457961-34-1 Formula: C13H19NO3S Molecular Weight: 269.3610mM in DMSO● In Stock — US Item #: A424075View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-methoxy-3-methylphenyl)sulfonylpiperidine
- SMILES
- CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC
- InChIKey
- HDTKLZINZGEPFG-UHFFFAOYSA-N
- InChI
- 1S/C13H19NO3S/c1-11-10-12(6-7-13(11)17-2)18(15,16)14-8-4-3-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3
- Synonyms
- 1-(4-Methoxy-3-methyl-benzenesulfonyl)-piperidine，1-[(4-Methoxy-3-methylphenyl)sulfonyl]-piperidine，Cy1001
- ABTL-0812CAS: 57818-44-7 Formula: C18H32O3 Molecular Weight: 296.4410mM in DMSO◐ .Made to order · 8–12 wks Item #: A424863View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid
- SMILES
- CCCCCC=CCC=CCCCCCCC(C(=O)O)O
- InChIKey
- AFDSETGKYZMEEA-HZJYTTRNSA-N
- InChI
- 1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)/b7-6-,10-9-
- Synonyms
- 9,12-Octadecadienoic acid, 2-hydroxy-, (Z,Z)- | 2-hydroxylinoleic acid | MS-24253 | UNII-0DE74TJ7EZ | (9Z,12Z)-2-hydr...
- AC 5216, Translocator protein agonistMoligand™ ? 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 #: A422719View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-benzyl-N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)acetamide
- SMILES
- CCN(CC1=CC=CC=C1)C(=O)CN2C3=NC(=NC=C3N(C2=O)C)C4=CC=CC=C4
- InChIKey
- NBMBIEOUVBHEBM-UHFFFAOYSA-N
- InChI
- 1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3
- Synonyms
- OG837L732J | BDBM50266889 | Emapunil (AC 5216) | Emapunil(AC-5216) | N-Benzyl-N-ethyl-2-(7-methyl-8-oxo-2-phenyl-7H-p...
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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.