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
Browse by type, application, or key specifications such as purity, grade, packaging, and handling requirements.
136,967 products
Shop by category
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
- Boc-N-methyl-tranexamic acidCAS: 165947-29-5 Formula: C14H25NO4 Molecular Weight: 271.36Solid ≥97%● In Stock — US Item #: B356456View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid
- SMILES
- CC(C)(C)OC(=O)CNCC1CCC(CC1)C(=O)O
- InChIKey
- ROTYORSNVMSVPG-UHFFFAOYSA-N
- InChI
- 1S/C14H25NO4/c1-14(2,3)19-12(16)9-15-8-10-4-6-11(7-5-10)13(17)18/h10-11,15H,4-9H2,1-3H3,(H,17,18)
- Synonyms
- 4-{[(2-tert-Butoxy-2-oxoethyl)amino]methyl}cyclohexane-1-carboxylic acid | AKOS030241925 | E79052 | SCHEMBL5024026 | ...
- Sitagliptin phosphate monohydrate, Dipeptidyl peptidase IV inhibitor● In Stock — US Item #: S129351View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;phosphoric acid;hydrate
- SMILES
- C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.O.OP(=O)(O)O
- InChIKey
- GQPYTJVDPQTBQC-KLQYNRQASA-N
- InChI
- show more
- Synonyms
- BS164409 | SITAGLIPTIN PHOSPHATE COMPONENT OF JANUMET | 1,2,4-Triazolo(4,3-a)pyrazine, 7-((3R)-3-amino-1-oxo-4-(2,4,5...
- Sivelestat sodium salt● In Stock — US Item #: S287743View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate
- SMILES
- CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].[Na+]
- InChIKey
- ZAIFANJZUGNYCK-UHFFFAOYSA-M
- InChI
- show more
- Synonyms
- Sivelestat (sodium) | HY-17443A | NCGC00261500-01 | SIVELESTAT SODIUM SALT ANHYDROUS [MI] | sodium;2-[[2-[[4-(2,2-dim...
- Metoprolol succinate, Beta-1 adrenergic receptor antagonist● In Stock — US Item #: M305056View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- butanedioic acid;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
- SMILES
- CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(CC(=O)O)C(=O)O
- InChIKey
- RGHAZVBIOOEVQX-UHFFFAOYSA-N
- InChI
- 1S/2C15H25NO3.C4H6O4/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-3(6)1-2-4(7)8/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2H2,(H,5,6)(H,7,8)
- Synonyms
- Metoprolol succinate (USP) | METOPROLOL SUCCINATE [USP MONOGRAPH] | TH25PD4CCB | Metoprolol CR XL | s5341 | Beloc-Zok...
- Skepinone-L● In Stock — US Item #: S127730View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 13-(2,4-difluoroanilino)-5-[(2R)-2,3-dihydroxypropoxy]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
- SMILES
- C1CC2=C(C=CC(=C2)NC3=C(C=C(C=C3)F)F)C(=O)C4=C1C=CC(=C4)OCC(CO)O
- InChIKey
- HXMGCTFLLWPVFM-GOSISDBHSA-N
- InChI
- 1S/C24H21F2NO4/c25-16-4-8-23(22(26)10-16)27-17-5-7-20-15(9-17)2-1-14-3-6-19(11-21(14)24(20)30)31-13-18(29)12-28/h3-11,18,27-29H,1-2,12-13H2/t18-/m1/s1
- Synonyms
- AKOS027422745 | SCHEMBL2686103 | SW219942-1 | 1221485-83-1 | 3que | HY-15300 | Skepinone L | Skepinone-L | AS-79383 |...
- Ammonium pyrrolidinedithiocarbamate(APDC)Solid ≥95%● In Stock — US Item #: A103738View 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
- 1-Pyrrolidinecarbodithioic acid, ammonuim salt | AC2534 | AKOS000121506 | apdc | MFCD00012720 | NCGC00261718-01 | SCH...
- Fluorometholone Acetate, Glucocorticoid receptor agonistCAS: 3801-06-7 Formula: C24H31FO5 Molecular Weight: 418.5● In Stock — US Item #: F129608View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)OC(=O)C
- InChIKey
- YRFXGQHBPBMFHW-SBTZIJSASA-N
- InChI
- show more
- Synonyms
- Flarex | AKOS025401542 | InChI=1/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H | CHE...
- Oxeladin citrateCAS: 52432-72-1 Formula: C26H41NO10 Molecular Weight: 527.6● In Stock — US Item #: O303887View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic acid
- SMILES
- CCC(CC)(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
- InChIKey
- KVKJFNUGVOFNGU-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 2-(2-(Diethylamino)ethoxy)ethyl 2-ethyl-2-phenylbutanoate 2-hydroxypropane-1,2,3-tricarboxylate | DTXCID2026608 | Tox...
- Acetylthiocholine iodideSolid ≥98%● In Stock — US Item #: A100869View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-acetylsulfanylethyl(trimethyl)azanium;iodide
- SMILES
- CC(=O)SCC[N+](C)(C)C.[I-]
- InChIKey
- NTBLZMAMTZXLBP-UHFFFAOYSA-M
- InChI
- 1S/C7H16NOS.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
- Synonyms
- SY022189 | NSC 44139 | PEG-5 Lauryl ether | 2-acetylsulfanylethyl(trimethyl)azanium;iodide | S-Acetylthiocholine iodi...
- Fluoxetine HCl, Serotonin transporter inhibitorCAS: 56296-78-7 EC Number: 260-101-2 PubChem CID: 62857 Formula: C17H18F3NO·HCl Molecular Weight: 345.79Solid ≥98%(HPLC)● In Stock — US Item #: F131623View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
- SMILES
- CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl
- InChIKey
- GIYXAJPCNFJEHY-UHFFFAOYSA-N
- InChI
- 1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H
- Synonyms
- Flunil | Fluoxetine (as hydrochloride) | Fluxen | Pragmaten | Prozac 20 | CPD000058452 | Fluoxil | Fluox-Puren | HY-B...
- Amyl-2-MethylbutyrateLiquid ≥97%● In Stock — US Item #: A304358View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- pentyl 2-methylbutanoate
- SMILES
- CCCCCOC(=O)C(C)CC
- InChIKey
- RHNBXPIJLXBHMF-UHFFFAOYSA-N
- InChI
- 1S/C10H20O2/c1-4-6-7-8-12-10(11)9(3)5-2/h9H,4-8H2,1-3H3
- Synonyms
- FT-0622368 | RHNBXPIJLXBHMF-UHFFFAOYSA-N | Pentyl-2-methylbutanoat | AMYL-2-METHYLBUTYRATE | Pentyl 2-methylbutanoate...
- Fmoc-(2S,3S)-3-amino-2-hydroxy-4-phenylbutyric acidCAS: 210754-59-9 Formula: C25H23NO5 Molecular Weight: 417.45● In Stock — US Item #: F338610View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-4-phenylbutanoic acid
- SMILES
- C1=CC=C(C=C1)CC(C(C(=O)O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
- InChIKey
- JZSULZSNDXGGHP-GOTSBHOMSA-N
- InChI
- show more
- Synonyms
- AKOS015949871 | Fmoc-(2S,3S)-AHPA | Benzenebutanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-alpha-hydrox...
Fast Shipping Same-day shipping on in-stock items
Technical Details Quality & specification info on every product page
Pack Size Options Multiple packaging sizes with pricing access from listing
R&D Use Only Products supplied for research and development use
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.