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).
By Target / Pathway / Disease
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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 (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
102,623Explore 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 (where available)—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
- FascaplysinCAS: 114719-57-2 Formula: C18H11N2O•Cl Molecular Weight: 271.33545◐ .Made to order · 8–12 wks Item #: F275751View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-aza-13-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-20-one;chloride
- SMILES
- C1=CC=C2C(=C1)C3=C(N2)C4=[N+](C=C3)C5=CC=CC=C5C4=O.[Cl-]
- InChIKey
- PWUOOJVYZQILBG-UHFFFAOYSA-N
- InChI
- 1S/C18H10N2O.ClH/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20;/h1-10H;1H
- Synonyms
- HMS3229G10 | Pyrido(1,2a:3,4-b')diindol-5-ium, 12,13-dihydro-13-oxo-, chloride | Fascaplysin chloride | HY-112328 | A...
- ScopineSolid ≥98%● In Stock — US warehouse, ships to EU* Item #: S129883View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
- SMILES
- CN1C2CC(CC1C3C2O3)O
- InChIKey
- FIMXSEMBHGTNKT-UPGAHCIJSA-N
- InChI
- 1S/C8H13NO2/c1-9-5-2-4(10)3-6(9)8-7(5)11-8/h4-8,10H,2-3H2,1H3/t4?,5-,6+,7-,8+
- Synonyms
- 3-Oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol, 9-methyl-, (1alpha,2beta,4beta,5alpha,7alpha)- | MFCD06658282 | PD087721 |...
- JTE 607 dihydrochlorideSolid ≥98%● In Stock — US warehouse, ships to EU* Item #: J275566View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl (2S)-2-[[3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]amino]-3-phenylpropanoate;dihydrochloride
- SMILES
- CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C(=C2O)Cl)OCCN3CCN(CC3)C)Cl.Cl.Cl
- InChIKey
- JUJAUEQJEWIWCQ-FJSYBICCSA-N
- InChI
- show more
- Synonyms
- 2B68H6BWCX | (-)-ethyl-N-[3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]-L-phenylalaninate dihyd...
- JHU 37160CAS: 2369979-68-8 Formula: C19H20ClFN4 Molecular Weight: 358.85● In Stock — US warehouse, ships to EU* Item #: J288154View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-chloro-6-(4-ethylpiperazin-1-yl)-10-fluoro-11H-benzo[b][1,4]benzodiazepine
- SMILES
- CCN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=C2C=CC=C4F
- InChIKey
- SWSCWOSASZXIRK-UHFFFAOYSA-N
- InChI
- 1S/C19H20ClFN4/c1-2-24-8-10-25(11-9-24)19-14-4-3-5-15(21)18(14)22-16-7-6-13(20)12-17(16)23-19/h3-7,12,22H,2,8-11H2,1H3
- Synonyms
- 8-Chloro-11-(4-ethylpiperazin-1-yl)-4-fluoro-5H-dibenzo[b,e][1,4]diazepine
- N,N-Dimethyl-2-Phenylethylamine HydrochlorideCAS: 10275-21-5 Formula: C10H16ClN Molecular Weight: 185.69Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: N302096View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N,N-dimethyl-2-phenylethanamine;hydrochloride
- SMILES
- CN(C)CCC1=CC=CC=C1.Cl
- InChIKey
- OVBRYLBVLSAOAS-UHFFFAOYSA-N
- InChI
- 1S/C10H15N.ClH/c1-11(2)9-8-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
- Synonyms
- Benzeneethanamine,N-dimethyl-, hydrochloride | N,N-Dimethyl-beta-phenyl ethylamine hydrochloride | F12470 | USAF EL-7...
- J-147CAS: 1146963-51-0 Formula: C18H17F3N2O2 Molecular Weight: 350.33● In Stock — US warehouse, ships to EU* Item #: J302241View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(2,4-dimethylphenyl)-2,2,2-trifluoro-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
- SMILES
- CC1=CC(=C(C=C1)N(C(=O)C(F)(F)F)N=CC2=CC(=CC=C2)OC)C
- InChIKey
- HYMZAYGFKNNHDN-SSDVNMTOSA-N
- InChI
- 1S/C18H17F3N2O2/c1-12-7-8-16(13(2)9-12)23(17(24)18(19,20)21)22-11-14-5-4-6-15(10-14)25-3/h4-11H,1-3H3/b22-11+
- Synonyms
- SCHEMBL12995834 | UNII-Z41H3C5BT9 | CAS-75-97-8 | 1807913-16-1 | N-(2,4-dimethylphenyl)-2,2,2-triluoro-N-[(E)-(3-meth...
- JIB-04CAS: 199596-05-9 Formula: C17H13ClN4 Molecular Weight: 308.76● In Stock — US warehouse, ships to EU* Item #: J168331View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
- SMILES
- C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3
- InChIKey
- YHHFKWKMXWRVTJ-OQKWZONESA-N
- InChI
- 1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
- Synonyms
- NSC 693627 | JIB04 | JIB 04
- N,N-Diethyl-2-PhenylacetamideCAS: 2431-96-1 Formula: C12H17NO Molecular Weight: 191.27● In Stock — US warehouse, ships to EU* Item #: N303170View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N,N-diethyl-2-phenylacetamide
- SMILES
- CCN(CC)C(=O)CC1=CC=CC=C1
- InChIKey
- UXDAWVUDZLBBAM-UHFFFAOYSA-N
- InChI
- 1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
- Synonyms
- SY317369 | CCRIS 3350 | NCGC00247008-01 | MLS000516055 | EINECS 219-400-3 | AKOS003583451 | N,N-Diethyl-2-phenylaceta...
- L-Cystine bis(ethyl ester) dihydrochlorideCAS: 22735-07-5 Formula: C10H20N2O4S2·2HCl Molecular Weight: 369.33Solid ≥97%● In Stock — US warehouse, ships to EU* Item #: L355051View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl (2R)-2-amino-3-[[(2R)-2-amino-3-ethoxy-3-oxopropyl]disulfanyl]propanoate;dihydrochloride
- SMILES
- CCOC(=O)C(CSSCC(C(=O)OCC)N)N.Cl.Cl
- InChIKey
- BDJZWSLXDLQPNZ-FOMWZSOGSA-N
- InChI
- 1S/C10H20N2O4S2.2ClH/c1-3-15-9(13)7(11)5-17-18-6-8(12)10(14)16-4-2;;/h7-8H,3-6,11-12H2,1-2H3;2*1H/t7-,8-;;/m0../s1
- Synonyms
- (H-Cys-OEt)2·2HCl
- N,N’-Ethylenediaminedisuccinic acid（EDDS）Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: N302758View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid
- SMILES
- C(CNC(CC(=O)O)C(=O)O)NC(CC(=O)O)C(=O)O
- InChIKey
- VKZRWSNIWNFCIQ-WDSKDSINSA-N
- InChI
- 1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1
- Synonyms
- (2S,2'S)-2,2'-(Ethane-1,2-diylbis(azanediyl))disuccinicacid | (2~{S})-2-[2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidan...
- Thiazolo[4,5-b]pyridine-2-thiolCAS: 99158-61-9 EC Number: 882-045-3 PubChem CID: 21202625 Formula: C6H4N2S2 Molecular Weight: 168.24● In Stock — US warehouse, ships to EU* Item #: T348061View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3H-[1,3]thiazolo[4,5-b]pyridine-2-thione
- SMILES
- C1=CC2=C(NC(=S)S2)N=C1
- InChIKey
- RQVPXSDOJUXHLF-UHFFFAOYSA-N
- InChI
- 1S/C6H4N2S2/c9-6-8-5-4(10-6)2-1-3-7-5/h1-3H,(H,7,8,9)
- Synonyms
- DTXSID50611367 | SCHEMBL1761836 | thiazolo [4,5-b]pyridine-2-thiol | ZDA15861 | EN300-115536 | SY147419 | thiazolo[4,...
- JLK 6CAS: 62252-26-0 Formula: C10H8ClNO3 Molecular Weight: 225.63Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%(HPLC)● In Stock — US warehouse, ships to EU* Item #: J288072View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-amino-4-chloro-3-methoxyisochromen-1-one
- SMILES
- COC1=C(C2=C(C=C(C=C2)N)C(=O)O1)Cl
- InChIKey
- AMDGKLWVCUXONP-UHFFFAOYSA-N
- InChI
- 1S/C10H8ClNO3/c1-14-10-8(11)6-3-2-5(12)4-7(6)9(13)15-10/h2-4H,12H2,1H3
- Synonyms
- 7-Amino-4-chloro-3-methoxy-1H-2-benzopyran | 7-Amino-4-chloro-3-methoxyisocoumarin
![Thiazolo[4,5-b]pyridine-2-thiol - ≥97% CAS No(99158-61-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/T/3/T348061.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.