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).
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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
- Hydroxy-PEG2-CH2COOHCAS: 51951-04-3 Formula: C6H12O5 Molecular Weight: 164.16◐ .Made to order · 8–12 wks Item #: H412713View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-(2-hydroxyethoxy)ethoxy]acetic acid
- SMILES
- C(COCCOCC(=O)O)O
- InChIKey
- PRBXPAHXMGDVNQ-UHFFFAOYSA-N
- InChI
- 1S/C6H12O5/c7-1-2-10-3-4-11-5-6(8)9/h7H,1-5H2,(H,8,9)
- Synonyms
- BP-28015 | HO-PEG-acid, MW 3,500 | Q27466129 | HO-PEG-acid, MW 10K | BP-26033 | NSC167745 | BCA95104 | HO-PEG-acid, M...
- Hydroxy-PEG3-CH2-BocCAS: 518044-31-0 Formula: C12H24O6 Molecular Weight: 264.32● In Stock — US warehouse, ships to EU* Item #: H412714View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate
- SMILES
- CC(C)(C)OC(=O)COCCOCCOCCO
- InChIKey
- YZXRUQCLSBHYHG-UHFFFAOYSA-N
- InChI
- 1S/C12H24O6/c1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13/h13H,4-10H2,1-3H3
- Synonyms
- HY-141209 | AKOS030630043 | HO-PEG3-CH2COOtBu | AS-54493 | tert-Butyl 2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)acetate ...
- Hydroxy-PEG5-CH2CO2tBuCAS: 1807530-05-7 Formula: C16H32O8 Molecular Weight: 352.42● In Stock — US warehouse, ships to EU* Item #: H412727View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tert-butyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetate
- SMILES
- CC(C)(C)OC(=O)COCCOCCOCCOCCOCCO
- InChIKey
- XPLBSNFHNMATJJ-UHFFFAOYSA-N
- InChI
- 1S/C16H32O8/c1-16(2,3)24-15(18)14-23-13-12-22-11-10-21-9-8-20-7-6-19-5-4-17/h17H,4-14H2,1-3H3
- Synonyms
- Hydroxy-PEG5-t-butyl acetate
- Hydroxy cyclophosphamide SemicarbazoneCAS: 53948-46-2 Formula: C8H18Cl2N5O3P Molecular Weight: 334.14◐ .Made to order · 8–12 wks Item #: H351991View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea
- SMILES
- C(COP(=O)(N)N(CCCl)CCCl)C=NNC(=O)N
- InChIKey
- DDSWASMKEIRTLV-YIXHJXPBSA-N
- InChI
- 1S/C8H18Cl2N5O3P/c9-2-5-15(6-3-10)19(12,17)18-7-1-4-13-14-8(11)16/h4H,1-3,5-7H2,(H2,12,17)(H3,11,14,16)/b13-4+
- Synonyms
- [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea | DTXSID50317635 | NSC 319519 | NSC319519 ...
- Hydroxy-PEG6-CH2-BocCAS: 297162-47-1 Formula: C18H36O9 Molecular Weight: 396.47◐ .Made to order · 8–12 wks Item #: H412716View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tert-butyl 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
- SMILES
- CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOCCO
- InChIKey
- BHPCFQUBUVPQGG-UHFFFAOYSA-N
- InChI
- 1S/C18H36O9/c1-18(2,3)27-17(20)16-26-15-14-25-13-12-24-11-10-23-9-8-22-7-6-21-5-4-19/h19H,4-16H2,1-3H3
- Synonyms
- Hydroxy-PEG6-CH2CO2tBu
- HydroxygenkwaninCAS: 20243-59-8 Formula: C16H12O6 Molecular Weight: 300.2710mM in DMSO● In Stock — US warehouse, ships to EU* Item #: H422461View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
- SMILES
- COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O
- InChIKey
- RRRSSAVLTCVNIQ-UHFFFAOYSA-N
- InChI
- 1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3
- Synonyms
- CCG-267462 | Luteolin 7-methyl ether | 1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta(cd)pent...
- HydroxygenkwaninCAS: 20243-59-8 Formula: C16H12O6 Molecular Weight: 300.27● In Stock — US warehouse, ships to EU* Item #: H414364View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
- SMILES
- COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O
- InChIKey
- RRRSSAVLTCVNIQ-UHFFFAOYSA-N
- InChI
- 1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3
- Synonyms
- CCG-267462 | Luteolin 7-methyl ether | 1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta(cd)pent...
- Octadecyl isonicotinateCAS: 103225-02-1 Formula: C24H41NO2 Molecular Weight: 375.59● In Stock — US warehouse, ships to EU* Item #: H355641View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- octadecyl pyridine-4-carboxylate
- SMILES
- CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=NC=C1
- InChIKey
- VXDJNEIVBJLMMZ-UHFFFAOYSA-N
- InChI
- 1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-24(26)23-18-20-25-21-19-23/h18-21H,2-17,22H2,1H3
- Synonyms
- J-000908 | Flukabrand selectophore,hydrogen*ionoph ore iv | Octadecyl isonicotinate # | Hydrogen ionophore IV, Select...
- HydroprotopineCAS: 128397-41-1 Formula: C2OH20NO5 Molecular Weight: 354.3810mM in DMSO● In Stock — US warehouse, ships to EU* Item #: H421141View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- W11714H-Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium,6,7,12b,13-tetrahydro-12b-hydroxy-5-methyl-
- HydroprotopineCAS: 128397-41-1 Formula: C2OH20NO5 Molecular Weight: 354.38● In Stock — US warehouse, ships to EU* Item #: H414365View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 13-methyl-5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-1-ol
- SMILES
- C[N+]12CCC3=CC4=C(C=C3C1(CC5=C(C2)C6=C(C=C5)OCO6)O)OCO4
- InChIKey
- SZMZXQWCICMUFH-UHFFFAOYSA-N
- InChI
- 1S/C20H20NO5/c1-21-5-4-12-6-17-18(25-10-24-17)7-15(12)20(21,22)8-13-2-3-16-19(14(13)9-21)26-11-23-16/h2-3,6-7,22H,4-5,8-11H2,1H3/q+1
- Synonyms
- W11714H-Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium,6,7,12b,13-tetrahydro-12b-hydroxy-5-methyl-
- Hydroxy Donepezil (Mixture of Isomer)CAS: 197010-20-1 Formula: C24H29NO4 Molecular Weight: 395.49● In Stock — US warehouse, ships to EU* Item #: H352353View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(1-benzylpiperidin-4-yl)-hydroxymethyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
- SMILES
- COC1=C(C=C2C(=C1)CC(C2=O)C(C3CCN(CC3)CC4=CC=CC=C4)O)OC
- InChIKey
- QKRVJLPAJNHQKT-UHFFFAOYSA-N
- InChI
- 1S/C24H29NO4/c1-28-21-13-18-12-20(24(27)19(18)14-22(21)29-2)23(26)17-8-10-25(11-9-17)15-16-6-4-3-5-7-16/h3-7,13-14,17,20,23,26H,8-12,15H2,1-2H3
- Synonyms
- 1H-INDEN-1-ONE, 2,3-DIHYDRO-2-(HYDROXY(1-(PHENYLMETHYL)-4-PIPERIDINYL)METHYL)-5,6-DIMETHOXY | J-012739 | QKRVJLPAJNHQ...
- HydroxyhexamideCAS: 3168-01-2 Formula: C15H22N2O4S Molecular Weight: 326.4110mM in DMSO● In Stock — US warehouse, ships to EU* Item #: H423294View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea
- SMILES
- CC(C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)O
- InChIKey
- VQDAEOYLIBGCHE-UHFFFAOYSA-N
- InChI
- 1S/C15H22N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-11,13,18H,2-6H2,1H3,(H2,16,17,19)
- Synonyms
- Q27277583 | (+/-)-Hydroxyhexamid | ()-Hydroxyhexamid | 1-CYCLOHEXYL-3-((P-(1-HYDROXYETHYL)-PHENYL)SULFONYL)UREA | ( i...
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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.