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
24,653Navigate 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
- Pitnot-2CAS: 1576239-29-6 Formula: C20H13BrN2OS Molecular Weight: 409.30Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: P276015View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 5-(4-Bromobenzylidene)-2-(naphthalen-1-ylamino)-1,3-thiazol-4(5H)-one
- Pitstop ® 1 - negative control◐ .Made to order · 8–12 wks Item #: P275094View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 2-(4-Aminobenzyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-sulfonicacidpotassiumsalt
- Direct Fast Brown BXCAS: 3476-90-2 Formula: C35H23N5Na2O7S Molecular Weight: 703.64● In Stock — US warehouse, ships to EU* Item #: D350874View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- disodium;5-[[4-[4-[(7-anilino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate
- SMILES
- C1=CC=C(C=C1)NC2=CC3=C(C(=C(C=C3C=C2)S(=O)(=O)[O-])N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=CC(=C(C=C6)O)C(=O)[O-])O.[Na+].[Na+]
- InChIKey
- KXSNOAIRJITAFI-UHFFFAOYSA-L
- InChI
- show more
- Synonyms
- C.I. Direct Brown 59, disodium salt | DTXSID101023725 | DIRECTFASTBROWNBX | Calcomine Brown BX | disodium;5-[[4-[4-[(...
- Allyl 1H,1H-perfluorooctyl etherCAS: 812-72-6 Formula: C11H7OF15 Molecular Weight: 440.14● In Stock — US warehouse, ships to EU* Item #: A354603View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-prop-2-enoxyoctane
- SMILES
- C=CCOCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
- InChIKey
- DPOFHGRLDJWXKJ-UHFFFAOYSA-N
- InChI
- 1S/C11H7F15O/c1-2-3-27-4-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3-4H2
- Synonyms
- SCHEMBL5704622 | 8-(allyloxy)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane | S(-)-ALPHA-AMINO-3,4-DIHYDRO-2,4-...
- Docetaxel Trihydrate, Tubulin inhibitorCAS: 148408-66-6 EC Number: 642-361-2 PubChem CID: 148123 Formula: C43H59NO17 Molecular Weight: 861.9● In Stock — US warehouse, ships to EU* Item #: D337470View 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)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O.O.O.O
- InChIKey
- XCDIRYDKECHIPE-QHEQPUDQSA-N
- InChI
- show more
- Synonyms
- (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropano...
- MictineCAS: 642-44-4 Formula: C9H13N3O2 Molecular Weight: 195.22◐ .Made to order · 8–12 wks Item #: M333412View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-amino-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione
- SMILES
- CCN1C(=O)C=C(N(C1=O)CC=C)N
- InChIKey
- NGXUUAFYUCOICP-UHFFFAOYSA-N
- InChI
- 1S/C9H13N3O2/c1-3-5-12-7(10)6-8(13)11(4-2)9(12)14/h3,6H,1,4-5,10H2,2H3
- Synonyms
- 6-Amino-3-ethyl-1-(2-propenyl)-2,4(1H,3H-)-pyrimidinedione | Aminometradina [INN-Spanish] | Mictine | 1-allyl-6-amino...
- trans-2-(2,4-dimethylphenyl)cyclopropan-1-amine hydrochloride◐ .Made to order · 8–12 wks Item #: T303095View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine;hydrochloride
- SMILES
- CC1=CC(=C(C=C1)C2CC2N)C.Cl
- InChIKey
- DATBZTJKVMQIOR-VZXYPILPSA-N
- InChI
- 1S/C11H15N.ClH/c1-7-3-4-9(8(2)5-7)10-6-11(10)12;/h3-5,10-11H,6,12H2,1-2H3;1H/t10-,11+;/m0./s1
- trans-2-(2-ethylphenyl)cyclopropan-1-amine hydrochloride◐ .Made to order · 8–12 wks Item #: S303098View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine;hydrochloride
- SMILES
- CCC1=CC=CC=C1C2CC2N.Cl
- InChIKey
- PRKYOYIAGMYHGL-VZXYPILPSA-N
- InChI
- 1S/C11H15N.ClH/c1-2-8-5-3-4-6-9(8)10-7-11(10)12;/h3-6,10-11H,2,7,12H2,1H3;1H/t10-,11+;/m0./s1
- trans-2-(2-ethylphenyl)cyclopropane-1-carboxylic acid◐ .Made to order · 8–12 wks Item #: S305230View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,2R)-2-(2-ethylphenyl)cyclopropane-1-carboxylic acid
- SMILES
- CCC1=CC=CC=C1C2CC2C(=O)O
- InChIKey
- LZDFLLRAVJJAPA-WDEREUQCSA-N
- InChI
- 1S/C12H14O2/c1-2-8-5-3-4-6-9(8)10-7-11(10)12(13)14/h3-6,10-11H,2,7H2,1H3,(H,13,14)/t10-,11+/m0/s1
- 6-KetoestroneCAS: 1476-34-2 Formula: C18H20O3 Molecular Weight: 284.35● In Stock — US warehouse, ships to EU* Item #: K345555View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-6,17-dione
- SMILES
- CC12CCC3C(C1CCC2=O)CC(=O)C4=C3C=CC(=C4)O
- InChIKey
- JOVYPIGRPWIXHQ-ONUSSAAZSA-N
- InChI
- 1S/C18H20O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15,19H,4-7,9H2,1H3/t12-,13-,15+,18+/m1/s1
- Synonyms
- BDBM50370698 | SCHEMBL1977286 | 6-Oxoestrone | 6-oxo-estrone | (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,...
- DichloroisobutylmethylsilaneCAS: 18028-96-1 Formula: C5H12Cl2Si Molecular Weight: 171.14● In Stock — US warehouse, ships to EU* Item #: D351843View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- dichloro-methyl-(2-methylpropyl)silane
- SMILES
- CC(C)C[Si](C)(Cl)Cl
- InChIKey
- LYAOQSKLBKFKFA-UHFFFAOYSA-N
- InChI
- 1S/C5H12Cl2Si/c1-5(2)4-8(3,6)7/h5H,4H2,1-3H3
- Synonyms
- methylisobutyldichlorosilane | SCHEMBL621375 | Dichloroisobutylmethylsilane | dichloro-methyl-(2-methylpropyl)silane ...
- Sodium ionophore VICAS: 80403-59-4 EC Number: 635-508-7 PubChem CID: 4407094 Formula: C34H62O12 Molecular Weight: 662.86Liquid ≥95%◐ .Made to order · 8–12 wks Item #: S355647View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- bis(1,4,7,10-tetraoxacyclododec-2-ylmethyl) 2-dodecyl-2-methylpropanedioate
- SMILES
- CCCCCCCCCCCCC(C)(C(=O)OCC1COCCOCCOCCO1)C(=O)OCC2COCCOCCOCCO2
- InChIKey
- FJSZDECKJYYBGE-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Sodium ionophore VI | Sodium ionophore VI, Selectophore(TM), function tested | AKOS015894399 | bis(1,4,7,10-tetraoxac...
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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.