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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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

2,812

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. Stearda
    CAS: 105955-10-0 PubChem CID: 10025103 Formula: C26H45NO3 Molecular Weight: 419.64
    ● In Stock — US warehouse, ships to EU* Item #: S334621
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    Technical Identifiers
    IUPAC Name
    N-[2-(3,4-dihydroxyphenyl)ethyl]octadecanamide
    SMILES
    CCCCCCCCCCCCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
    InChIKey
    KOCSVLPLQCBIGW-UHFFFAOYSA-N
    InChI
    1S/C26H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h18-19,22,28-29H,2-17,20-21H2,1H3,(H,27,30)
    Synonyms
    CHEBI:186909 | NCGC00092336-01 | n-stearoyl dopamine | DTXSID50434391 | SCHEMBL883453 | Z221503626 | SKN6T3V4BB | n-s...
  2. beta-Secretase Inhibitor II (Z-VLL-CHO)
    CAS: 263563-09-3 PubChem CID: 10253763 Molecular Weight: 461.6
    ◐ .Made to order · 8–12 wks Item #: S276273
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    SMILES
    CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1
    Synonyms
    benzylN-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan...
  3. (S)-Salsolidine
    CAS: 493-48-1 PubChem CID: 164752 Formula: C12H17NO2 Molecular Weight: 207.27
    Solid ≥98%
    ◐ .Made to order · 8–12 wks Item #: S275132
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    IUPAC Name
    (1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
    SMILES
    CC1C2=CC(=C(C=C2CCN1)OC)OC
    InChIKey
    HMYJLVDKPJHJCF-QMMMGPOBSA-N
    InChI
    1S/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-8,13H,4-5H2,1-3H3/t8-/m0/s1
    Synonyms
    Salsolidin | QMS4D62O1I | (-)-Salsolidine | (S)-Salsolidine | (S)-6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoli...
  4. N-Acetyl-4-aminosalicylic Acid
    CAS: 50-86-2 Formula: C9H9NO4 Molecular Weight: 195.17
    ● In Stock — US warehouse, ships to EU* Item #: N332439
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    IUPAC Name
    4-acetamido-2-hydroxybenzoic acid
    SMILES
    CC(=O)NC1=CC(=C(C=C1)C(=O)O)O
    InChIKey
    YBTVSGCNBZPRBD-UHFFFAOYSA-N
    InChI
    1S/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)
    Synonyms
    4-Acetamidosalicylic acid;4-Acetamido-2-hydroxybenzoic acid;p-Acetamidosalicylic acid | p-Acetamidosalicylic acid | 2...
  5. SB 657510
    CAS: 474960-44-6 EC Number: 663-526-5 PubChem CID: 11272107 Formula: C19H22BrClN2O5S Molecular Weight: 505.81
    Solid ≥98%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: S287184
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    IUPAC Name
    2-bromo-N-[4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]-4,5-dimethoxybenzenesulfonamide
    SMILES
    CN1CCC(C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br)Cl
    InChIKey
    KQCZCINJGIRLCD-CYBMUJFWSA-N
    InChI
    1S/C19H22BrClN2O5S/c1-23-7-6-13(11-23)28-16-8-12(4-5-15(16)21)22-29(24,25)19-10-18(27-3)17(26-2)9-14(19)20/h4-5,8-10,13,22H,6-7,11H2,1-3H3/t13-/m1/s1
    Synonyms
    2-BROMO-N-[4-CHLORO-3-[[(3R)-1-METHYL-3-PYRROLIDINYL]OXY]PHENYL]-4,5-DIMETHOXYBENZENESULFONAMIDE | HMS3413P20 | 2-Bro...
  6. Strychnine hydrochloride
    CAS: 1421-86-9 EC Number: 215-826-9 PubChem CID: 16219987 Formula: C21H22N2O2·HCl Molecular Weight: 370.87
    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 warehouse, ships to EU* Item #: S275288
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    IUPAC Name
    (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;hydrshow more
    SMILES
    C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75.Cl
    InChIKey
    VLXYTKMPCOQKEM-ZEYGOCRCSA-N
    InChI
    1S/C21H22N2O2.ClH/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;/h1-5,13,16-17,19-20H,6-11H2;1H/t13-,16-,17-show more
    Synonyms
    Strychnidin-10-one, monohydrochloride | Strychnine Hydrochloride Hydrate | CHEBI:90699 | STRYCHNINE HYDROCHLORIDE [WH...
  7. SF1670
    CAS: 345630-40-2 EC Number: 803-514-0 PubChem CID: 9926586 Formula: C19H17NO3 Molecular Weight: 307.35
    ● In Stock — US warehouse, ships to EU* Item #: S275771
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    IUPAC Name
    N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide
    SMILES
    CC(C)(C)C(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)C2=O
    InChIKey
    VZQDDSYKVYARDW-UHFFFAOYSA-N
    InChI
    1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
    Synonyms
    N-(9,10-dioxo-9,10-dihydrophenanthren-2-yl)pivalamide | N-(9,10-dihydro-9,10-dioxophenanthren-7-yl)pivalamide | CCG-2...
  8. beta-Amyloid Peptide (31-35)
    CAS: 149385-65-9 PubChem CID: 10816380 Formula: C25H47N5O6S Molecular Weight: 545.74
    ◐ .Made to order · 8–12 wks Item #: A276211
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    IUPAC Name
    (2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfshow more
    SMILES
    CCC(C)C(C(=O)NC(C(C)CC)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)O)N
    InChIKey
    ZMDGLWRNBGRYQB-ZKHIMWLXSA-N
    InChI
    1S/C25H47N5O6S/c1-8-15(5)20(26)23(33)30-21(16(6)9-2)24(34)27-13-19(31)28-18(12-14(3)4)22(32)29-17(25(35)36)10-11-37-7/h14-18,20-21H,8-13,26H2,1-7H3,(Hshow more
  9. β-Cembrenediol
    CAS: 57605-81-9 Formula: C20H34O2 Molecular Weight: 306.48
    ◐ .Made to order · 8–12 wks Item #: C275839
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    Technical Identifiers
    IUPAC Name
    (1R,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
    SMILES
    CC1=CCCC(=CC(CC(C=CC(CC1)C(C)C)(C)O)O)C
    InChIKey
    RIVKDDXPCFBMOV-PCFHHCMKSA-N
    InChI
    1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11-,16-7-,17-13-/t18-,19+,20+/show more
    Synonyms
    (1R,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol | beta -Cembrenediol | (1R-...
  10. beta-D-Glucosyl C4-Ceramide
    CAS: 111956-45-7 PubChem CID: 71317100 Formula: C28H53NO8 Molecular Weight: 531.72
    ◐ .Made to order · 8–12 wks Item #: D275136
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    Technical Identifiers
    IUPAC Name
    N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]butanamide
    SMILES
    CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCC)O
    InChIKey
    VSVGCPKEFVFBTE-HAJHVBEFSA-N
    InChI
    1S/C28H53NO8/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22(31)21(29-24(32)17-4-2)20-36-28-27(35)26(34)25(33)23(19-30)37-28/h16,18,21-23,25-28,30-31,33-35Hshow more
    Synonyms
    N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]butanamid...
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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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