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
24,642Navigate 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
- Pterinotoxin-1◐ .Made to order · 8–12 wks Item #: P276493View ProductPricing & Pack Sizes
Technical Identifiers
- DihydromyristicinCAS: 52811-28-6 Formula: C11H14O3 Molecular Weight: 194.23◐ .Made to order · 8–12 wks Item #: D276481View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-methoxy-6-propyl-1,3-benzodioxole
- SMILES
- CCCC1=CC2=C(C(=C1)OC)OCO2
- InChIKey
- KRJIWNLPONWPOO-UHFFFAOYSA-N
- InChI
- 1S/C11H14O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h5-6H,3-4,7H2,1-2H3
- Synonyms
- NCGC00096068-01 | BB 0259599 | AKOS006275563 | DTXSID20200787 | SPECTRUM1505006 | CCRIS 7109 | 4-methoxy-6-propylbenz...
- OxysophocarpineSolid Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.● In Stock — US Item #: O398829View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,2R,9S,13R,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
- SMILES
- C1CC2CN3C(CC=CC3=O)C4C2[N+](C1)(CCC4)[O-]
- InChIKey
- QMGGMESMCJCABO-JARXUMMXSA-N
- InChI
- 1S/C15H22N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-,17+/m0/s1
- Synonyms
- Oxysophocarpine | (1R,2R,9S,13R,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one | HY-N0...
- Sodium dibutyldithiocarbamate40% in water● In Stock — US Item #: S302492View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;N,N-dibutylcarbamodithioate
- SMILES
- CCCCN(CCCC)C(=S)[S-].[Na+]
- InChIKey
- HUMLQUKVJARKRN-UHFFFAOYSA-M
- InChI
- 1S/C9H19NS2.Na/c1-3-5-7-10(9(11)12)8-6-4-2;/h3-8H2,1-2H3,(H,11,12);/q;+1/p-1
- Synonyms
- SODIUM DIBUTYLDITHIOCARBAMATE|136-30-1|Sodium dibutylcarbamodithioate|Pennac|Butyl namate|Vulcacure NB|Accel TP|Sodiu...
- Antioxidant 412SCAS: 29598-76-3 Formula: C65H124O8S4 Molecular Weight: 1161.94Reagent Grade ? General reagent-grade purity suitable for most laboratory work. Use as a dependable default when no specific higher grade is required.● In Stock — US Item #: A303356View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [3-(3-dodecylsulfanylpropanoyloxy)-2,2-bis(3-dodecylsulfanylpropanoyloxymethyl)propyl] 3-dodecylsulfanylpropanoate
- SMILES
- CCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC
- InChIKey
- VSVVZZQIUJXYQA-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 29598-76-3|2,2-BIS[[3-(DODECYLTHIO)-1-OXOPROPOXY]METHYL]PROPANE-1,3-DIYL BIS[3-(DODECYLTHIO)PROPIONATE]|Neopentanetet...
- DimethocaineCAS: 94-15-5 Formula: C16H26N2O2 Molecular Weight: 278.4Solid ≥98%● In Stock — US Item #: D155432View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [3-(diethylamino)-2,2-dimethylpropyl] 4-aminobenzoate
- SMILES
- CCN(CC)CC(C)(C)COC(=O)C1=CC=C(C=C1)N
- InChIKey
- OWQIUQKMMPDHQQ-UHFFFAOYSA-N
- InChI
- 1S/C16H26N2O2/c1-5-18(6-2)11-16(3,4)12-20-15(19)13-7-9-14(17)10-8-13/h7-10H,5-6,11-12,17H2,1-4H3
- Synonyms
- R3L4A6GOWZ | Larocaine | 1-Propanol, 3-(diethylamino)-2,2-dimethyl-, p-aminobenzoate | BCP21170 | WLN: ZR DVO1X1&1&1N...
- N-Methyl Mesoporphyrin IXCAS: 142234-85-3 EC Number: 853-236-9 PubChem CID: 656404 Formula: C35H40N4O4 Molecular Weight: 580.72● In Stock — US Item #: N344713View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17,22-pentamethyl-23H-porphyrin-2-yl]propanoic acid
- SMILES
- CC1=C2[NH]C(/C=C(C(CCC(O)=O)=C3C)\[N]=C3/C=C4[N](C)/C(C(C)=C\4CC)=C\C5=[N]/C(C(C)=C5CC)=C\2)=C1CCC(O)=O
- InChIKey
- XODZICXILWCPBD-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 21H,23H-porphine-2,18-dipropanoic acid, 8,13-diethyl-3,7,12,17,23-pentamethyl | 21H,23H-porphine-2,18-dipropanoic aci...
- PugNAcCAS: 132489-69-1 Formula: C15H19N3O7 Molecular Weight: 353.33Solid ≥95%● In Stock — US Item #: P275897View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(Z)-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate
- SMILES
- CC(=O)NC1C(C(C(OC1=NOC(=O)NC2=CC=CC=C2)CO)O)O
- InChIKey
- PBLNJFVQMUMOJY-JXZOILRNSA-N
- InChI
- show more
- Synonyms
- a hexosaminidase A and B inhibitor | D-Gluconimidic acid, 2-(acetylamino)-2-deoxy-N-(((phenylamino)carbonyl)oxy)-, de...
- Tris(Tribromoneopenthyl)Phosphate● In Stock — US Item #: T305288View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate
- SMILES
- C(C(CBr)(CBr)CBr)OP(=O)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr
- InChIKey
- BHYQWBKCXBXPKM-UHFFFAOYSA-N
- InChI
- 1S/C15H24Br9O4P/c16-1-13(2-17,3-18)10-26-29(25,27-11-14(4-19,5-20)6-21)28-12-15(7-22,8-23)9-24/h1-12H2
- Synonyms
- Tris(3-bromo-2,2-bis(bromomethyl)propyl) phosphate | JCQ65AV6GN | Kronitex PB 370 | Flame Cut 175 | Reoflam FR 370
- Antipain, Dihydrochloride● In Stock — US Item #: A329547View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(C)C(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O.Cl.Cl
- InChIKey
- YAHXZYICKJUJEO-BXLPLHKWSA-N
- InChI
- show more
- Synonyms
- [(S)-1-Carboxy-2-phenylethyl]-carbamoyl-Arg-Val-arginal . 2HCl | Antipain, Dihydrochloride | Antipain dihydrochloride...
- HhAntagCAS: 496794-70-8 Formula: C24H23ClN4O3 Molecular Weight: 450.92Solid ≥98%◐ .Made to order · 8–12 wks Item #: H126037View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-3,5-dimethoxybenzamide
- SMILES
- CN(C)C1=CC2=C(C=C1)N=C(N2)C3=C(C=CC(=C3)NC(=O)C4=CC(=CC(=C4)OC)OC)Cl
- InChIKey
- UBHJFPVTEATUFS-UHFFFAOYSA-N
- InChI
- 1S/C24H23ClN4O3/c1-29(2)16-6-8-21-22(12-16)28-23(27-21)19-11-15(5-7-20(19)25)26-24(30)14-9-17(31-3)13-18(10-14)32-4/h5-13H,1-4H3,(H,26,30)(H,27,28)
- Synonyms
- N-(4-chloro-3-(5-(dimethylamino)-1H-benzo[d]imidazol-2-yl)phenyl)-3,5-dimethoxybenzamide | SCHEMBL2157955 | Hh-Antag;...
- Trisbromoneopentyl AlcoholSolid ≥98%● In Stock — US Item #: T303560View ProductPricing & Pack Sizes
Technical Identifiers
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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.