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
24,643Navigate 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
102,641Explore 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)
19,704Find 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)
8,783Shop 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
- Ammonium pyrrolidinedithiocarbamate (APDC)Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%● In Stock — US warehouse, ships to EU* Item #: A106037View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- azanium;pyrrolidine-1-carbodithioate
- SMILES
- C1CCN(C1)C(=S)[S-].[NH4+]
- InChIKey
- MDDIUTVUBYEEEM-UHFFFAOYSA-N
- InChI
- 1S/C5H9NS2.H3N/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);1H3
- Synonyms
- APDC | PDC | PDTC | 1-Pyrrolidinecarbodithioic acid, ammonuim salt | AC2534 | AKOS000121506 | apdc | MFCD00012720 | N...
- PhytolLiquid ≥90%(GC)● In Stock — Germany Item #: P160673View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
- SMILES
- CC(=CCO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
- InChIKey
- BOTWFXYSPFMFNR-PYDDKJGSSA-N
- InChI
- 1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
- Synonyms
- EINECS 205-776-6 | UNII-MZQ4XE15TP | MFCD00151280 | SCHEMBL22783 | (E,R,R)-PHYTOL | C01389 | P0411 | Phytol | EN300-1...
- AMG 333CAS: 1416799-28-4 Formula: C20H12F5N3O4 Molecular Weight: 453.33● In Stock — US warehouse, ships to EU* Item #: A287015View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-[[(S)-(3-fluoropyridin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]carbamoyl]pyridine-3-carboxylic acid
- SMILES
- C1=CC(=C(N=C1)C(C2=CC(=C(C=C2)OC(F)(F)F)F)NC(=O)C3=NC=C(C=C3)C(=O)O)F
- InChIKey
- QEBYISWYMFIXOZ-INIZCTEOSA-N
- InChI
- show more
- Synonyms
- AKOS037648724 | SCHEMBL14332808 | N17022 | BDBM50463850 | (S)-6-(((3-Fluoro-4-(trifluoromethoxy)phenyl)(3-fluoropyrid...
- Methyl 6-chloro-4-(trifluoromethyl)nicotinateCAS: 261635-79-4 Formula: C8H5ClF3NO2 Molecular Weight: 239.58◐ .Made to order · 8–12 wks Item #: M334565View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylate
- SMILES
- COC(=O)C1=CN=C(C=C1C(F)(F)F)Cl
- InChIKey
- CFJDLJIDLYBQQY-UHFFFAOYSA-N
- InChI
- 1S/C8H5ClF3NO2/c1-15-7(14)4-3-13-6(9)2-5(4)8(10,11)12/h2-3H,1H3
- Synonyms
- AKOS015851235 | METHYL 6-CHLORO-4-(TRIFLUOROMETHYL)NICOTINATE | methyl 6-chloro-4-(trifluoromethyl)-nicotinate | PS-1...
- Lapatinib Ditosylate(GW-572016)Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: L129338View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
- InChIKey
- UWYXLGUQQFPJRI-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- DTXSID20180974 | 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)am...
- Lycorine hydrochlorideCAS: 2188-68-3 Formula: C16H18ClNO4·HCl Molecular Weight: 323.77● In Stock — US warehouse, ships to EU* Item #: L101558View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol;hydrochloride
- SMILES
- C1CN2CC3=CC4=C(C=C3C5C2C1=CC(C5O)O)OCO4.Cl
- InChIKey
- VUVNTYCHKZBOMV-NVJKKXITSA-N
- InChI
- 1S/C16H17NO4.ClH/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19;/h3-5,11,14-16,18-19H,1-2,6-7H2;1H/t11-,14-,15+,16+;/m0./s1
- Synonyms
- 58F70VH0HS | NSC14453 | UNII-58F70VH0HS | Lycorine-chloride | Q-100273 | s3800 | BS-42350 | Narcissine hydrochloride ...
- LappaconitineCAS: 32854-75-4 Formula: C32H44N2O8 Molecular Weight: 584.7Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: L274779View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5(C6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C
- InChIKey
- NWBWCXBPKTTZNQ-MUVXNFNYSA-N
- InChI
- show more
- Synonyms
- Lannaconitine
- N1-(Fur-2-ylmethyl)-4-methylanilineCAS: 3139-27-3 Formula: C12H13NO Molecular Weight: 187.24Liquid ≥98%● In Stock — US warehouse, ships to EU* Item #: N350791View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(furan-2-ylmethyl)-4-methylaniline
- SMILES
- CC1=CC=C(C=C1)NCC2=CC=CO2
- InChIKey
- BHQOFWPBMQRCQK-UHFFFAOYSA-N
- InChI
- 1S/C12H13NO/c1-10-4-6-11(7-5-10)13-9-12-3-2-8-14-12/h2-8,13H,9H2,1H3
- Synonyms
- N-(furan-2-ylmethyl)-4-methylaniline | EN300-02472 | Furan-2-ylmethyl-p-tolyl-amine | SB60937 | BHQOFWPBMQRCQK-UHFFFA...
- LYN-1604 hydrochlorideCAS: 2088939-99-3 Formula: C33H45Cl4N3O2 Molecular Weight: 657.54● In Stock — US warehouse, ships to EU* Item #: L303086View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[bis(2-methylpropyl)amino]-1-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]ethanone
- SMILES
- CC(C)CN(CC(C)C)CC(=O)N1CCN(CC1)CC(C2=C(C=C(C=C2)Cl)Cl)OCC3=CC4=CC=CC=C4C=C3
- InChIKey
- DVNVYWLKGWAELS-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- UA3-02 hydrochloride, 1-(4-(2-(2,4-Dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl)piperazin-1-yl)-2-(diisobutylamino...
- Paclitaxel, Tubulin inhibitorSolid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%● In Stock — US warehouse, ships to EU* Item #: P106869View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
- InChIKey
- RCINICONZNJXQF-MZXODVADSA-N
- InChI
- show more
- Synonyms
- NSC125973 | NSC-125973 | Onxal | ORAXOL COMPONENT PACLITAXEL | Pacliex | (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R...
- Resorcinol Bis(diphenyl phosphate)● In Stock — US warehouse, ships to EU* Item #: R304040View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3-diphenoxyphosphoryloxyphenyl) diphenyl phosphate
- SMILES
- C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC(=CC=C3)OP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5
- InChIKey
- OWICEWMBIBPFAH-UHFFFAOYSA-N
- InChI
- 1S/C30H24O8P2/c31-39(33-25-14-5-1-6-15-25,34-26-16-7-2-8-17-26)37-29-22-13-23-30(24-29)38-40(32,35-27-18-9-3-10-19-27)36-28-20-11-4-12-21-28/h1-24H
- Synonyms
- 1,3-Phenylene tetraphenyl phosphate | AC-24001 | EINECS 260-830-6 | FT-0653480 | Mark PFK | Tetraphenylresorcinol dip...
- 6-Fluoro-4-quinolinolCAS: 21873-50-7 Formula: C9H6FNO Molecular Weight: 163.15● In Stock — US warehouse, ships to EU* Item #: F349582View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-fluoro-1H-quinolin-4-one
- SMILES
- C1=CC2=C(C=C1F)C(=O)C=CN2
- InChIKey
- BYZXOYSEYWCLOK-UHFFFAOYSA-N
- InChI
- 1S/C9H6FNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12)
- Synonyms
- 6-fluoro-1H-quinolin-4-one | SB68126 | AC-3046 | 6-fluoro-quinolin-4-ol | 6-fluoroquinolin-4-ol | 6-fluoro-4-oxo-1,4-...
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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.