By Target / Pathway / Disease

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).

136,942 products

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

Navigate 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

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PROTAC 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.

Explore 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.

Find 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.

Shop 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.

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  1. Cyclizine Hydrochloride
    CAS: 303-25-3 EC Number: 206-136-9 Formula: C18H23ClN2 Molecular Weight: 302.84
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C347548
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    Technical Identifiers
    IUPAC Name
    1-benzhydryl-4-methylpiperazine;hydrochloride
    SMILES
    CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl
    InChIKey
    UKPBEPCQTDRZSE-UHFFFAOYSA-N
    InChI
    1S/C18H22N2.ClH/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18H,12-15H2,1H3;1H
    Synonyms
    SMR001233212 | 1,10-Decanediol, 98% | CYCLIZINE HYDROCHLORIDE [EP IMPURITY] | cyclizine monohydrochloride | 1-benzhyd...
  2. Cyclo(RGDyK)
    CAS: 250612-42-1 PubChem CID: 129896716 Formula: C31H43F6N9O12 Molecular Weight: 847.72
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C422862
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    IUPAC Name
    2-[(2S,5R,8S,11S)-8-(4-aminobutyl)-11-[3-(diaminomethylideneamino)propyl]-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopenshow more
    SMILES
    C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CCCCN)CC2=CC=C(C=C2)O)CC(=O)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
    InChIKey
    CDDUWKKOPQABPG-TVSMIREGSA-N
    InChI
    1S/C27H41N9O8.2C2HF3O2/c28-10-2-1-4-18-24(42)34-17(5-3-11-31-27(29)30)23(41)32-14-21(38)33-20(13-22(39)40)26(44)36-19(25(43)35-18)12-15-6-8-16(37)9-7-show more
    Synonyms
    cyclo(L-arginylglycyl-L-α-aspartyl-D-tyrosyl-L-lysyl),2,2,2-trifluoroacetate (1:2)
  3. Cyclododecyl isothiocyanate
    CAS: 59037-64-8 Formula: C13H23NS Molecular Weight: 225.4
    ● In Stock — US warehouse, ships to EU* Item #: C348606
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    IUPAC Name
    isothiocyanatocyclododecane
    SMILES
    C1CCCCCC(CCCCC1)N=C=S
    InChIKey
    VSCLPFIUOOBLQJ-UHFFFAOYSA-N
    InChI
    1S/C13H23NS/c15-12-14-13-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2
    Synonyms
    Isothiocyanatocyclododecane
  4. Cycloastragenol
    CAS: 84605-18-5 EC Number: 846-798-1 Formula: C30H50O5 Molecular Weight: 490.71
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C354021
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    Technical Identifiers
    IUPAC Name
    (1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]show more
    SMILES
    CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)O)O)C
    InChIKey
    WENNXORDXYGDTP-ODAITAILSA-N
    InChI
    1S/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-show more
    Synonyms
    Cyclogalegenin | EX-A4262 | WENNXORDXYGDTP-ODAITAILSA- | (1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2S,5R)-5-(2-hydrox...
  5. 2-(Cyclohexyloxy)acetic Acid
    CAS: 71995-54-5 EC Number: 675-501-6 Formula: C8H14O3 Molecular Weight: 158.19
    ◐ .Made to order · 8–12 wks Item #: C346854
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    Technical Identifiers
    IUPAC Name
    2-cyclohexyloxyacetic acid
    SMILES
    C1CCC(CC1)OCC(=O)O
    InChIKey
    GOLVMRZULJWHGT-UHFFFAOYSA-N
    InChI
    1S/C8H14O3/c9-8(10)6-11-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
    Synonyms
    DTXSID70222272 | 2-cyclohexyloxyacetic acid | 2-(Cyclohexyloxy)aceticAcid | Z316258722 | Q27447235 | Cyclohexyloxyace...
  6. Cyclooctanone oxime
    CAS: 1074-51-7 Formula: C8H15NO Molecular Weight: 141.21
    ● In Stock — US warehouse, ships to EU* Item #: C349183
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    Technical Identifiers
    IUPAC Name
    N-cyclooctylidenehydroxylamine
    SMILES
    C1CCCC(=NO)CCC1
    InChIKey
    KTPUHSVFNHULJH-UHFFFAOYSA-N
    InChI
    1S/C8H15NO/c10-9-8-6-4-2-1-3-5-7-8/h10H,1-7H2
    Synonyms
    NICOTINICACIDN-HEXYLESTER | N-cyclooctylidenehydroxylamine | NCIOpen2_000943 | Cyclooctanone, oxime | Cyclooctanoneox...
  7. Cyclopentanecarboxylic acid piperidin-4-ylamide
    CAS: 883548-75-2 Formula: C11H20N2O Molecular Weight: 196.29
    ● In Stock — US warehouse, ships to EU* Item #: C348310
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    Technical Identifiers
    IUPAC Name
    N-piperidin-4-ylcyclopentanecarboxamide
    SMILES
    C1CCC(C1)C(=O)NC2CCNCC2
    InChIKey
    WCCWHEDYTQBSPQ-UHFFFAOYSA-N
    InChI
    1S/C11H20N2O/c14-11(9-3-1-2-4-9)13-10-5-7-12-8-6-10/h9-10,12H,1-8H2,(H,13,14)
    Synonyms
    EN300-8510292 | HMS1697C08 | N-piperidin-4-ylcyclopentanecarboxamide | BB 0253191 | A1-15521 | N-(4-Piperidinyl)cyclo...
  8. Cyclopentyl-(2,3,4-trimethoxy-benzyl)-amine
    CAS: 418788-93-9 Formula: C15H23NO3 Molecular Weight: 265.36
    ● In Stock — US warehouse, ships to EU* Item #: C346853
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    Technical Identifiers
    IUPAC Name
    N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine
    SMILES
    COC1=C(C(=C(C=C1)CNC2CCCC2)OC)OC
    InChIKey
    WQFRXDPSYHVMLY-UHFFFAOYSA-N
    InChI
    1S/C15H23NO3/c1-17-13-9-8-11(14(18-2)15(13)19-3)10-16-12-6-4-5-7-12/h8-9,12,16H,4-7,10H2,1-3H3
    Synonyms
    NCGC00276425-01 | AB00487139-09 | CYCLOPENTYL-(2,3,4-TRIMETHOXYBENZYL)AMINE | Cyclopentyl-(2,3,4-trimethoxy-benzyl)-a...
  9. Cyclopentyl-(2,4-dimethoxy-benzyl)-amine
    CAS: 356092-74-5 Formula: C14H21NO2 Molecular Weight: 235.33
    ● In Stock — US warehouse, ships to EU* Item #: C348331
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    Technical Identifiers
    IUPAC Name
    N-[(2,4-dimethoxyphenyl)methyl]cyclopentanamine
    SMILES
    COC1=CC(=C(C=C1)CNC2CCCC2)OC
    InChIKey
    LSYCGNNWVCZOGE-UHFFFAOYSA-N
    InChI
    1S/C14H21NO2/c1-16-13-8-7-11(14(9-13)17-2)10-15-12-5-3-4-6-12/h7-9,12,15H,3-6,10H2,1-2H3
    Synonyms
    AG-690/13701724 | Oprea1_525579 | LSYCGNNWVCZOGE-UHFFFAOYSA-N | Oprea1_832622 | SCHEMBL3919386 | F1967-9756 | AB00089...
  10. Cyclohexyl-thiazol-2-yl-amine
    CAS: 1438-45-5 Formula: C9H14N2S Molecular Weight: 182.29
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C421614
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    Technical Identifiers
    IUPAC Name
    N-cyclohexyl-1,3-thiazol-2-amine
    SMILES
    C1CCC(CC1)NC2=NC=CS2
    InChIKey
    XFDXDDHWWVQGRU-UHFFFAOYSA-N
    InChI
    1S/C9H14N2S/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h6-8H,1-5H2,(H,10,11)
    Synonyms
    Z56845201 | AKOS000115475 | HMS1411K03 | Oprea1_573503 | EN300-02426 | Cyclohexyl-thiazol-2-yl-amine | XFDXDDHWWVQGRU...
  11. Cyclohexyl-thiazol-2-yl-amine
    CAS: 1438-45-5 Formula: C9H14N2S Molecular Weight: 182.29
    ● In Stock — US warehouse, ships to EU* Item #: C349178
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    Technical Identifiers
    IUPAC Name
    N-cyclohexyl-1,3-thiazol-2-amine
    SMILES
    C1CCC(CC1)NC2=NC=CS2
    InChIKey
    XFDXDDHWWVQGRU-UHFFFAOYSA-N
    InChI
    1S/C9H14N2S/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h6-8H,1-5H2,(H,10,11)
    Synonyms
    Z56845201 | AKOS000115475 | HMS1411K03 | Oprea1_573503 | EN300-02426 | Cyclohexyl-thiazol-2-yl-amine | XFDXDDHWWVQGRU...
  12. Cyflufenamid
    CAS: 180409-60-3 EC Number: 605-896-2 Formula: C20H17F5N2O2 Molecular Weight: 412.35
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C347461
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    IUPAC Name
    N-[(Z)-N-(cyclopropylmethoxy)-C-[2,3-difluoro-6-(trifluoromethyl)phenyl]carbonimidoyl]-2-phenylacetamide
    SMILES
    C1CC1CON=C(C2=C(C=CC(=C2F)F)C(F)(F)F)NC(=O)CC3=CC=CC=C3
    InChIKey
    ACMXQHFNODYQAT-UHFFFAOYSA-N
    InChI
    1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)
    Synonyms
    DTXSID30431727 | N-((Z)-((Cyclopropylmethoxy)imino)(2,3-difluoro-6-(trifluoromethyl)phenyl)methyl)-2-phenylacetamide ...
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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.

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