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).

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136,967 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 (where available)—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. Procaine hydrochloride
    CAS: 51-05-8 EC Number: 200-077-2 Formula: C13H20N2O2·HCl Molecular Weight: 272.77
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ● In Stock — US Item #: P113899
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    Technical Identifiers
    IUPAC Name
    2-(diethylamino)ethyl 4-aminobenzoate;hydrochloride
    SMILES
    CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.Cl
    InChIKey
    HCBIBCJNVBAKAB-UHFFFAOYSA-N
    InChI
    1S/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H
    Synonyms
    Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, monohydrochloride | Cetain | HY-B0546A | EINECS 200-077-2 | Enpr...
  2. DIPPA hydrochloride
    CAS: 155512-52-0 PubChem CID: 45073425 Formula: C22H23Cl2N3OS•HCl Molecular Weight: 484.87
    ◐ .Made to order · 8–12 wks Item #: D287328
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    IUPAC Name
    2-(3,4-dichlorophenyl)-N-[(1S)-1-(3-isothiocyanatophenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide;hydrochloride
    SMILES
    CN(C(CN1CCCC1)C2=CC(=CC=C2)N=C=S)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl
    InChIKey
    BNWYENYHNOESCX-ZMBIFBSDSA-N
    InChI
    1S/C22H23Cl2N3OS.ClH/c1-26(22(28)12-16-7-8-19(23)20(24)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)25-15-29;/h4-8,11,13,21H,2-3,9-10,12,14H2,1H3;1H/tshow more
    Synonyms
    2-(3,4-Dichlorophenyl)-N-methyl-N-[(1S)-1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl]acetamide hydrochloride
  3. IMD 0354
    CAS: 978-62-1 EC Number: 635-542-2 Formula: C15H8ClF6NO2 Molecular Weight: 383.67
    ● In Stock — US Item #: I129696
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    IUPAC Name
    N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
    SMILES
    C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O
    InChIKey
    CHILCFMQWMQVAL-UHFFFAOYSA-N
    InChI
    1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)
    Synonyms
    AKOS017344958 | NCGC00165811-02 | NSC800773 | NSC-800773 | SMR004702969 | HMS3269F13 | HMS3677J21 | IKK-2-inhibitor-V...
  4. Prednisolone, Glucocorticoid receptor agonist
    CAS: 50-24-8 EC Number: 200-021-7 Formula: C21H28O5 Molecular Weight: 360.44
    ● In Stock — US Item #: P276607
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    Technical Identifiers
    IUPAC Name
    (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
    SMILES
    CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O
    InChIKey
    OIGNJSKKLXVSLS-VWUMJDOOSA-N
    InChI
    1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-show more
    Synonyms
    Metacortandralone | Hydroretrocortine | 1,4-Pregnadiene-11β,17α,21-triol-3,20-dione | 1-Dehydrocortisol, 1-Dehydrohyd...
  5. Deferoxamine mesylate, Iron chelating agent
    CAS: 138-14-7 EC Number: 205-314-3 Formula: C26H52N6O11S Molecular Weight: 656.79
    Solid ≥98%
    ● In Stock — US Item #: D302525
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    IUPAC Name
    N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;methanesulfonic acid
    SMILES
    CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O.CS(=O)(=O)O
    InChIKey
    IDDIJAWJANBQLJ-UHFFFAOYSA-N
    InChI
    1S/C25H48N6O8.CH4O3S/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;1-5(2,3)4/h37-39H,2-show more
    Synonyms
    Deferoxamine mesilate | Deferoxamine mesylate | Deferoxamine methanesulfonate | Desferrioxamine B mesylate
  6. Pramoxine HCl
    CAS: 637-58-1 EC Number: 211-293-1 Formula: C17H27NO3.HCl Molecular Weight: 329.86
    ● In Stock — US Item #: P129469
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    IUPAC Name
    4-[3-(4-butoxyphenoxy)propyl]morpholine;hydrochloride
    SMILES
    CCCCOC1=CC=C(C=C1)OCCCN2CCOCC2.Cl
    InChIKey
    SYCBXBCPLUFJID-UHFFFAOYSA-N
    InChI
    1S/C17H27NO3.ClH/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18;/h5-8H,2-4,9-15H2,1H3;1H
    Synonyms
    PRAMOXINE HYDROCHLORIDE COMPONENT OF PRAMOSONE | Walgreen Anti-Itch | CVS Health Maximum Strength Feminine | Pramoxin...
  7. Procaterol hydrochloride
    CAS: 62929-91-3 EC Number: 263-763-0 PubChem CID: 43091 Formula: C16H22N2O3·HCl Molecular Weight: 326.82
    ● In Stock — US Item #: P275600
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    Technical Identifiers
    IUPAC Name
    8-hydroxy-5-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;hydrochloride
    SMILES
    CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.Cl
    InChIKey
    AEQDBKHAAWUCMT-CVHDTDHSSA-N
    InChI
    1S/C16H22N2O3.ClH/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);1H/t12-,16+;/m0./s1
    Synonyms
    Hydron;8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;chloride | Procaterol hydrochloride [USAN:...
  8. Acetyl-β-methylcholine bromide
    CAS: 333-31-3 EC Number: 206-372-2 Formula: C8H18BrNO2 Molecular Weight: 240.14
    Solid ≥99%
    ● In Stock — US Item #: A100823
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    Technical Identifiers
    IUPAC Name
    2-acetyloxypropyl(trimethyl)azanium;bromide
    SMILES
    CC(C[N+](C)(C)C)OC(=O)C.[Br-]
    InChIKey
    MMVPLEUBMWUYIB-UHFFFAOYSA-M
    InChI
    1S/C8H18NO2.BrH/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1
    Synonyms
    [2-(acetyloxy)propyl]trimethylazanium bromide | Methacholine bromide | AS-57368 | D91277 | HY-A0083B | 2-Acetoxypropy...
  9. Acetylcholine bromide
    CAS: 66-23-9 EC Number: 200-622-4 Formula: C7H16BrNO2 Molecular Weight: 226.11
    Solid ≥98%
    ● In Stock — US Item #: A106023
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    Technical Identifiers
    IUPAC Name
    2-acetyloxyethyl(trimethyl)azanium;bromide
    SMILES
    CC(=O)OCC[N+](C)(C)C.[Br-]
    InChIKey
    ZEHGKSPCAMLJDC-UHFFFAOYSA-M
    InChI
    1S/C7H16NO2.BrH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
    Synonyms
    C12HG588IF | EINECS 200-622-4 | NSC 4678 | NSC4678 | NSC-4678 | Acetylcholine (bromide) | 2-acetoxy-N,N,N-trimethylet...
  10. Prednisolone Acetate
    CAS: 52-21-1 EC Number: 200-134-1 Formula: C23H30O6 Molecular Weight: 402.48
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
    ● In Stock — US Item #: P129282
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    IUPAC Name
    [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] aceshow more
    SMILES
    CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O
    InChIKey
    LRJOMUJRLNCICJ-JZYPGELDSA-N
    InChI
    1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/tshow more
    Synonyms
    EINECS 200-134-1 | Predni-H | BLEPHAMIDE COMPONENT PREDNISOLONE ACETATE | Meticortelone acetate | Predalone | PREDNIS...
  11. Prednisolone Acetate, Glucocorticoid receptor agonist
    CAS: 52-21-1 EC Number: 200-134-1 Formula: C23H30O6 Molecular Weight: 402.48
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    ● In Stock — US Item #: P131646
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    Technical Identifiers
    IUPAC Name
    [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] aceshow more
    SMILES
    CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O
    InChIKey
    LRJOMUJRLNCICJ-JZYPGELDSA-N
    InChI
    1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/tshow more
    Synonyms
    Prednisolone 21-acetate | 21-Acetoxy-1,4-pregnadiene-11β,17α-diol-3,20-dione
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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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