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
24,642Navigate 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
2,814PROTAC 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
102,634Explore 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)
19,701Find 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)
8,782Shop 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
- Alarelin AcetateCAS: 79561-22-1 EC Number: 635-974-1 PubChem CID: 12821051 Formula: C60H86N16O16 Molecular Weight: 1287.42● In Stock — US Item #: A332479View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
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- InChIKey
- DPWSRXJWCYEGIV-PFHUABGLSA-N
- InChI
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- Synonyms
- HY-17405 | Alarelin (Acetate) | 79561-22-1 (acetate); 148029-26-9 (free base). | BA164142 | 5-Oxo-L-prolyl-L-histidyl...
- ARC 239 dihydrochloride● In Stock — US Item #: A275859View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,4-dimethylisoquinoline-1,3-dione;dihydrochloride
- SMILES
- CC1(C2=CC=CC=C2C(=O)N(C1=O)CCN3CCN(CC3)C4=CC=CC=C4OC)C.Cl.Cl
- InChIKey
- SAJKHRHHDGSJEZ-UHFFFAOYSA-N
- InChI
- 1S/C24H29N3O3.2ClH/c1-24(2)19-9-5-4-8-18(19)22(28)27(23(24)29)17-14-25-12-15-26(16-13-25)20-10-6-7-11-21(20)30-3;;/h4-11H,12-17H2,1-3H3;2*1H
- Synonyms
- SCHEMBL1690943 | 2-(2-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)-4,4-dimethylisoquinoline-1,3(2H,4H)-dionedihydrochlor...
- Diethyl 2-{[3-(bromomethyl)-2-thienyl]-methylene}malonateCAS: 104085-30-5 Formula: C13H15BrO4S Molecular Weight: 347.23◐ .Made to order · 8–12 wks Item #: D351582View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- diethyl 2-[[3-(bromomethyl)thiophen-2-yl]methylidene]propanedioate
- SMILES
- CCOC(=O)C(=CC1=C(C=CS1)CBr)C(=O)OCC
- InChIKey
- ADBJZPBDGYLFRT-UHFFFAOYSA-N
- InChI
- 1S/C13H15BrO4S/c1-3-17-12(15)10(13(16)18-4-2)7-11-9(8-14)5-6-19-11/h5-7H,3-4,8H2,1-2H3
- Synonyms
- Diethyl {[3-(bromomethyl)thiophen-2-yl]methylidene}propanedioate | diethyl 2-{[3-(bromomethyl)-2-thienyl]methylene}ma...
- SR 57227 hydrochloride● In Stock — US Item #: S286932View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(6-chloropyridin-2-yl)piperidin-4-amine;hydrochloride
- SMILES
- C1CN(CCC1N)C2=NC(=CC=C2)Cl.Cl
- InChIKey
- FUMINTAAUJUVMP-UHFFFAOYSA-N
- InChI
- 1S/C10H14ClN3.ClH/c11-9-2-1-3-10(13-9)14-6-4-8(12)5-7-14;/h1-3,8H,4-7,12H2;1H
- Synonyms
- 4-Piperidinamine, 1-(6-chloro-2-pyridinyl)-, monohydrochloride | SCHEMBL3282207 | 1-(6-chloro-2-pyridinyl)-4-piperidi...
- Flunarizine 2HClCAS: 30484-77-6 EC Number: 250-216-6 PubChem CID: 5282407 Formula: C26H26F2N2·2HCl Molecular Weight: 477.42Solid ≥99%● In Stock — US Item #: F129526View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
- SMILES
- C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl
- InChIKey
- RXKMOPXNWTYEHI-RDRKJGRWSA-N
- InChI
- 1S/C26H26F2N2.2ClH/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21;;/h1-15,26H,16-20H2;2*1H/b7-4+;;
- Synonyms
- Q-100983 | BCP9000695 | SR-01000000006 | LP00527 | F 8257 | Flunarizine (as hydrochloride) | Flunarizine dihydrochlor...
- BX 513 hydrochloride● In Stock — US Item #: B274898View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride
- SMILES
- C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.Cl
- InChIKey
- SSZWNUGWOGONQJ-UHFFFAOYSA-N
- InChI
- 1S/C28H29ClN2O.ClH/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24;/h1-6,8-15,32H,7,16-21H2;1H
- Synonyms
- BX 513 HCL | 1216540-18-9 | BX 513 hydrochloride | BX-513 | BCP27909 | 1-Piperidinepentanenitrile,4-(4-chlorophenyl)-...
- Albiglutide（Acetate）CAS: 782500-75-8 PubChem CID: 145994868 Formula: C148H224N40O45（free base） Molecular Weight: 3283.6（free base）● In Stock — US Item #: A275359View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
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- InChIKey
- JYDZPPZAYQTOIV-OTSUTHPESA-N
- InChI
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- Synonyms
- UNII-5E7U48495E | GSK716155 | S3734 | Albugon | Eperzan | 5E7U48495E | Albiglutide | HSDB 8282 | tanzeum | PD078276 |...
- SR 10067● In Stock — US Item #: S288821View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [3-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
- SMILES
- CC(C)(C)OC1=CC=C(C=C1)OCC2CC3=CC=CC=C3CN2C(=O)C4=CC=CC5=CC=CC=C54
- InChIKey
- MOPAGKWBFUICQT-UHFFFAOYSA-N
- InChI
- 1S/C31H31NO3/c1-31(2,3)35-27-17-15-26(16-18-27)34-21-25-19-23-10-4-5-11-24(23)20-32(25)30(33)29-14-8-12-22-9-6-7-13-28(22)29/h4-18,25H,19-21H2,1-3H3
- Synonyms
- [3-[[4-(1,1-Dimethylethoxy)phenoxy]methyl]-3,4-dihydro-2(1H)-isoquinolinyl]-1-naphthalenylmethanone
- AS 2034178CAS: 1030846-42-4 Formula: C27H29FN2O3 Molecular Weight: 448.53◐ .Made to order · 8–12 wks Item #: A288780View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[2-fluoro-4-[[1-(2-phenoxyethyl)-3,4-dihydro-2H-quinolin-5-yl]methylamino]phenyl]propanoic acid
- SMILES
- C1CC2=C(C=CC=C2N(C1)CCOC3=CC=CC=C3)CNC4=CC(=C(C=C4)CCC(=O)O)F
- InChIKey
- VENOXIKBBUVHRY-UHFFFAOYSA-N
- InChI
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- Synonyms
- 2-Fluoro-4-[[[1,2,3,4-Tetrahydro-1-(2-phenoxyethyl)-5-quinolinyl]methyl]amino]benzenepropanoic acid
- Diethyl(Diphenylmethyl) PhosphateCAS: 27329-60-8 Formula: C17H21O3P Molecular Weight: 304.321● In Stock — US Item #: D303302View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [diethoxyphosphoryl(phenyl)methyl]benzene
- SMILES
- CCOP(=O)(C(C1=CC=CC=C1)C2=CC=CC=C2)OCC
- InChIKey
- SVSCLSTYANOQQX-UHFFFAOYSA-N
- InChI
- 1S/C17H21O3P/c1-3-19-21(18,20-4-2)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3
- N,N-Diethyl-p-phenylenediamine oxalateCAS: 62637-92-7 EC Number: 263-662-1 PubChem CID: 112893 Formula: C12H18N2O4 Molecular Weight: 254.28● In Stock — US Item #: N196332View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-N,4-N-diethylbenzene-1,4-diamine;oxalic acid
- SMILES
- CCN(CC)C1=CC=C(C=C1)N.CCN(CC)C1=CC=C(C=C1)N.C(=O)(C(=O)O)O
- InChIKey
- JJEXNPALAITIMN-UHFFFAOYSA-N
- InChI
- 1S/2C10H16N2.C2H2O4/c2*1-3-12(4-2)10-7-5-9(11)6-8-10;3-1(4)2(5)6/h2*5-8H,3-4,11H2,1-2H3;(H,3,4)(H,5,6)
- Synonyms
- 1,4-Benzenediamine, N,N-diethyl-, ethanedioate (2:1) | LNP4KF39DP | N1,N1-diethylbenzene-1,4-diamine hemioxalate | N,...
- STF 31● In Stock — US Item #: S287035View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
- SMILES
- CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC3=CN=CC=C3
- InChIKey
- NGQPRVWTFNBUHA-UHFFFAOYSA-N
- InChI
- 1S/C23H25N3O3S/c1-23(2,3)19-10-12-21(13-11-19)30(28,29)25-15-17-6-8-18(9-7-17)22(27)26-20-5-4-14-24-16-20/h4-14,16,25H,15H2,1-3H3,(H,26,27)
- Synonyms
- EN300-191931 | NCGC00379139-04 | 4n9d | STF 31 | HMS3871F13 | HMS3750G03 | AC-30936 | BCP16022 | DTXSID70359693 | AKO...
![Diethyl 2-{[3-(bromomethyl)-2-thienyl]-methylene}malonate - 95%, used for , CAS No. 104085-30-5, by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/D/3/D351582.png)
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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.