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
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
24,635Navigate 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
102,621Explore 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)
19,694Find 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 —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
- ML16210mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M420426View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
- SMILES
- COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)Cl
- InChIKey
- UNVKYJSNMVDZJE-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- BRD-5421 | Molecular Libraries 162
- ML162Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: M413107View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
- SMILES
- COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)Cl
- InChIKey
- UNVKYJSNMVDZJE-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- BRD-5421 | Molecular Libraries 162
- ML216CAS: 1430213-30-1 Formula: C15H9F4N5OS Molecular Weight: 383.3210mM in DMSO◐ .Made to order · 8–12 wks Item #: M421588View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
- SMILES
- C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)C3=CC=NC=C3)C(F)(F)F)F
- InChIKey
- WMCOYUSJXXCHFH-UHFFFAOYSA-N
- InChI
- 1S/C15H9F4N5OS/c16-11-2-1-9(7-10(11)15(17,18)19)21-13(25)22-14-24-23-12(26-14)8-3-5-20-6-4-8/h1-7H,(H2,21,22,24,25)
- Synonyms
- CHEBI:92844 | Q27164600 | A857038 | 1-[4-Fluoro-3-(trifluoromethyl)phenyl]-3-[5-(4-pyridinyl)-1,3,4-thiadiaZol-2-yl]u...
- ML241 hydrochlorideCAS: 2070015-13-1 Formula: C23H25ClN4O Molecular Weight: 408.92● In Stock — US warehouse, ships to EU* Item #: M412253View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;hydrochloride
- SMILES
- C1CCC2=C(C1)C(=NC(=N2)N3CCOC4=CC=CC=C43)NCC5=CC=CC=C5.Cl
- InChIKey
- DYHMHNNBOLCULH-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 4-Quinazolinamine,2-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-5,6,7,8-tetrahydro-N-(phenylmethyl)-,hyd...
- ML241 hydrochlorideCAS: 2070015-13-1 Formula: C23H25ClN4O Molecular Weight: 408.9210mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M422511View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;hydrochloride
- SMILES
- C1CCC2=C(C1)C(=NC(=N2)N3CCOC4=CC=CC=C43)NCC5=CC=CC=C5.Cl
- InChIKey
- DYHMHNNBOLCULH-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 4-Quinazolinamine,2-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-5,6,7,8-tetrahydro-N-(phenylmethyl)-,hyd...
- ML251CAS: 1486482-16-9 Formula: C17H13Cl2N3O4S Molecular Weight: 426.27● In Stock — US warehouse, ships to EU* Item #: M413036View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(3,4-dichlorophenyl)-N-[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]acetamide
- SMILES
- C1=CC(=CC=C1NC(=O)CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)NC3=NOC=C3
- InChIKey
- AIDVIFPYWYKRCE-UHFFFAOYSA-N
- InChI
- 1S/C17H13Cl2N3O4S/c18-14-6-1-11(9-15(14)19)10-17(23)20-12-2-4-13(5-3-12)27(24,25)22-16-7-8-26-21-16/h1-9H,10H2,(H,20,23)(H,21,22)
- ML254CAS: 1428630-86-7 Formula: C18H15FN2O2 Molecular Weight: 310.3● In Stock — US warehouse, ships to EU* Item #: M412926View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[2-(3-fluorophenyl)ethynyl]-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide
- SMILES
- CC1(COC1)NC(=O)C2=NC=C(C=C2)C#CC3=CC(=CC=C3)F
- InChIKey
- YMYCVXPMSMNWEP-UHFFFAOYSA-N
- InChI
- 1S/C18H15FN2O2/c1-18(11-23-12-18)21-17(22)16-8-7-14(10-20-16)6-5-13-3-2-4-15(19)9-13/h2-4,7-10H,11-12H2,1H3,(H,21,22)
- ML198CAS: 1380716-06-2 Formula: C17H14N4O Molecular Weight: 290.32● In Stock — US warehouse, ships to EU* Item #: M412965View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(4-ethynylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
- SMILES
- CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC=C(C=C3)C#C)C
- InChIKey
- HVZPJBKUFRREQC-UHFFFAOYSA-N
- InChI
- 1S/C17H14N4O/c1-4-13-5-7-14(8-6-13)20-17(22)15-10-18-21-12(3)9-11(2)19-16(15)21/h1,5-10H,2-3H3,(H,20,22)
- Synonyms
- HY-117861 | F90275 | N-(4-ethynylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide | NCGC00188758-02 | HVZP...
- ML19810mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M421440View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(4-ethynylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
- SMILES
- CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC=C(C=C3)C#C)C
- InChIKey
- HVZPJBKUFRREQC-UHFFFAOYSA-N
- InChI
- 1S/C17H14N4O/c1-4-13-5-7-14(8-6-13)20-17(22)15-10-18-21-12(3)9-11(2)19-16(15)21/h1,5-10H,2-3H3,(H,20,22)
- Synonyms
- HY-117861 | F90275 | N-(4-ethynylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide | NCGC00188758-02 | HVZP...
- ML264CAS: 1550008-55-3 Formula: C17H21ClN2O4S Molecular Weight: 384.8810mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M421845View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-3-(3-chlorophenyl)-N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]prop-2-enamide
- SMILES
- CN(C1CCS(=O)(=O)CC1)C(=O)CNC(=O)C=CC2=CC(=CC=C2)Cl
- InChIKey
- AJCDZIDKYKCOMZ-AATRIKPKSA-N
- InChI
- 1S/C17H21ClN2O4S/c1-20(15-7-9-25(23,24)10-8-15)17(22)12-19-16(21)6-5-13-3-2-4-14(18)11-13/h2-6,11,15H,7-10,12H2,1H3,(H,19,21)/b6-5+
- Synonyms
- CID-510036032-Propenamide,3-(3-chlorophenyl)-N-[2-[methyl(tetrahydro-1,1-dioxido-2H-thiopyran-4-yl)ami...
- ML264CAS: 1550008-55-3 Formula: C17H21ClN2O4S Molecular Weight: 384.88● In Stock — US warehouse, ships to EU* Item #: M413940View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-3-(3-chlorophenyl)-N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]prop-2-enamide
- SMILES
- CN(C1CCS(=O)(=O)CC1)C(=O)CNC(=O)C=CC2=CC(=CC=C2)Cl
- InChIKey
- AJCDZIDKYKCOMZ-AATRIKPKSA-N
- InChI
- 1S/C17H21ClN2O4S/c1-20(15-7-9-25(23,24)10-8-15)17(22)12-19-16(21)6-5-13-3-2-4-14(18)11-13/h2-6,11,15H,7-10,12H2,1H3,(H,19,21)/b6-5+
- Synonyms
- CID-51003603 | (2E)-3-(3-Chlorophenyl)-N-[2-[methyl(tetrahydro-1,1-dioxido-2H-thiopyran-4-yl)amino]-2-oxoethyl]-2-pro...
- ML266CAS: 1462267-08-8 Formula: C24H22BrN3O4 Molecular Weight: 496.4● In Stock — US warehouse, ships to EU* Item #: M412969View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide
- SMILES
- CN(C1=CC=CC=C1)C(=O)CNC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)Br
- InChIKey
- VAPWBKACLHRZBZ-UHFFFAOYSA-N
- InChI
- 1S/C24H22BrN3O4/c1-28(19-7-3-2-4-8-19)23(30)15-26-24(31)20-9-5-6-10-21(20)32-16-22(29)27-18-13-11-17(25)12-14-18/h2-14H,15-16H2,1H3,(H,26,31)(H,27,29)
- Synonyms
- CID-46943215
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.