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

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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. 5-Methylthiazole-2-carboxylic acid
    CAS: 61291-21-2 Formula: C5H5NO2S Molecular Weight: 143.17
    ● In Stock — US warehouse, ships to EU* Item #: M304139
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    Technical Identifiers
    IUPAC Name
    5-methyl-1,3-thiazole-2-carboxylic acid
    SMILES
    CC1=CN=C(S1)C(=O)O
    InChIKey
    UYDGNRLMYZMDOG-UHFFFAOYSA-N
    InChI
    1S/C5H5NO2S/c1-3-2-6-4(9-3)5(7)8/h2H,1H3,(H,7,8)
    Synonyms
    MFCD08060736 | SY023408 | FT-0650000 | 5-Methyl-thiazole-2-carboxylic acid | 5-methylthiazole-2-carboxylic acid | DTX...
  2. Vinyl Tris(Dimethylsiloxy)Silane
    CAS: 160172-46-3 PubChem CID: 11097960 Formula: C8H24O3Si4 Molecular Weight: 280.619
    ◐ .Made to order · 8–12 wks Item #: V303026
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    SMILES
    C[Si](C)O[Si](C=C)(O[Si](C)C)O[Si](C)C
    InChIKey
    QMYWTTZYMZXKNP-UHFFFAOYSA-N
    InChI
    1S/C8H21O3Si4/c1-8-15(9-12(2)3,10-13(4)5)11-14(6)7/h8H,1H2,2-7H3
  3. 5-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
    CAS: 191732-76-0 EC Number: 876-546-6 Formula: C13H11N3O4 Molecular Weight: 273.25
    ● In Stock — US warehouse, ships to EU* Item #: A305285
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    IUPAC Name
    5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
    SMILES
    C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N
    InChIKey
    IICWMVJMJVXCLY-UHFFFAOYSA-N
    InChI
    1S/C13H11N3O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4,14H2,(H,15,17,18)
    Synonyms
    1,3-dioxo-2-(2,6-dioxopiperidin-3-yl)-5-aminoisoindoline | SB64014 | EN300-7365471 | 5-Aminothalidomide | 5-amino-2-(...
  4. 5-benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
    CAS: 848591-86-6 Formula: C13H14N2O2 Molecular Weight: 230.27
    ● In Stock — US warehouse, ships to EU* Item #: H304763
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    IUPAC Name
    5-benzyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
    SMILES
    C1C2C(CN1CC3=CC=CC=C3)C(=O)NC2=O
    InChIKey
    COFHBZBIKPEYNP-UHFFFAOYSA-N
    InChI
    1S/C13H14N2O2/c16-12-10-7-15(8-11(10)13(17)14-12)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,16,17)
    Synonyms
    DTXSID70404319 | 5-(phenylmethyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2h,3ah)-dione | 5-benzyl-3a,4,6,6a-tetrahydropyr...
  5. BMS 182874 hydrochloride
    CAS: 1215703-04-0 EC Number: 802-465-2 Formula: C17H19N3O3S•HCl Molecular Weight: 381.88
    Solid ≥98%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: B286892
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    IUPAC Name
    5-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide;hydrochloride
    SMILES
    CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C.Cl
    InChIKey
    UZZFRNZGYDOBAO-UHFFFAOYSA-N
    InChI
    1S/C17H19N3O3S.ClH/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4;/h5-10,19H,1-4H3;1H
    Synonyms
    5-(Dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide hydrochloride | BMS182874 | N-(3,4-Dimethyl-...
  6. BMS 191011
    CAS: 202821-81-6 EC Number: 806-268-2 Formula: C16H10ClF3N2O3 Molecular Weight: 370.71
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: B288268
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    IUPAC Name
    3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
    SMILES
    C1=CC(=CC=C1C2=NN(C(=O)O2)CC3=C(C=CC(=C3)Cl)O)C(F)(F)F
    InChIKey
    QKOWACXSXTXRKA-UHFFFAOYSA-N
    InChI
    1S/C16H10ClF3N2O3/c17-12-5-6-13(23)10(7-12)8-22-15(24)25-14(21-22)9-1-3-11(4-2-9)16(18,19)20/h1-7,23H,8H2
    Synonyms
    EX-A4811 | 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one | HMS3677P11 | AC...
  7. EGCG Octaacetate
    CAS: 148707-39-5 Formula: C38H34O19 Molecular Weight: 794.67
    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 #: E276041
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    IUPAC Name
    [(2R,3R)-5,7-diacetyloxy-2-(3,4,5-triacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-triacetyloxybenzoate
    SMILES
    CC(=O)OC1=CC2=C(CC(C(O2)C3=CC(=C(C(=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C4=CC(=C(C(=C4)OC(=O)C)OC(=O)C)OC(=O)C)C(=C1)OC(=O)C
    InChIKey
    SVHJCTSSYQPWEV-VSJLXWSYSA-N
    InChI
    1S/C38H34O19/c1-16(39)48-26-13-28(49-17(2)40)27-15-34(57-38(47)25-11-32(52-20(5)43)37(55-23(8)46)33(12-25)53-21(6)44)35(56-29(27)14-26)24-9-30(50-18(3show more
    Synonyms
    Epigallocatechin gallate octaacetate | 5-(((2R,3R)-5,7-Diacetoxy-2-(3,4,5-triacetoxyphenyl)chroman-3-yloxy)carbonyl)b...
  8. QX 222
    CAS: 5369-00-6 PubChem CID: 9795082 Formula: C13H21ClN2O Molecular Weight: 256.77
    ● In Stock — US warehouse, ships to EU* Item #: Q286951
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    IUPAC Name
    [2-(2,6-dimethylanilino)-2-oxoethyl]-trimethylazanium;chloride
    SMILES
    CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)C.[Cl-]
    InChIKey
    WFKXSWWTOZBDME-UHFFFAOYSA-N
    InChI
    1S/C13H20N2O.ClH/c1-10-7-6-8-11(2)13(10)14-12(16)9-15(3,4)5;/h6-8H,9H2,1-5H3;1H
    Synonyms
    SR-01000075956 | NSC27031 | QX-222 (chloride) | 2-((2,6-Dimethylphenyl)amino)-N,N,N-trimethyl-2-oxoethan-1-aminiumchl...
  9. 5-bromo-2-(2-methoxy-4-methylphenoxy)pyrimidine
    CAS: 1017789-03-5 PubChem CID: 27281300 Formula: C12H11BrN2O2 Molecular Weight: 295.136
    ● In Stock — US warehouse, ships to EU* Item #: B342215
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    IUPAC Name
    5-bromo-2-(2-methoxy-4-methylphenoxy)pyrimidine
    SMILES
    CC1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)OC
    InChIKey
    ZINLJJVWQWFCCS-UHFFFAOYSA-N
    InChI
    1S/C12H11BrN2O2/c1-8-3-4-10(11(5-8)16-2)17-12-14-6-9(13)7-15-12/h3-7H,1-2H3
    Synonyms
    AS-31367 | 5-bromo-2-(2-methoxy-4-methylphenoxy)pyrimidine | 5-Bromo-2-(2-methoxy-4-methyl-phenoxy)-pyrimidine | AC-9...
  10. 5-bromomethylisophthalic acid dimethyl ester
    CAS: 42268-88-2 Formula: C11H11BrO4 Molecular Weight: 287.1
    ● In Stock — US warehouse, ships to EU* Item #: B303695
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    IUPAC Name
    dimethyl 5-(bromomethyl)benzene-1,3-dicarboxylate
    SMILES
    COC(=O)C1=CC(=CC(=C1)CBr)C(=O)OC
    InChIKey
    SVXVCUVXGMLDJC-UHFFFAOYSA-N
    InChI
    1S/C11H11BrO4/c1-15-10(13)8-3-7(6-12)4-9(5-8)11(14)16-2/h3-5H,6H2,1-2H3
    Synonyms
    DiMethyl 5-BroMoMethyl-1,3-Benzene-Dicarboxylate
  11. 5-chloro-2,4-dihydroxybenzaldehyde
    CAS: 131088-02-3 EC Number: 850-917-2 Formula: C7H5ClO3 Molecular Weight: 172.57
    ● In Stock — US warehouse, ships to EU* Item #: C302355
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    IUPAC Name
    5-chloro-2,4-dihydroxybenzaldehyde
    SMILES
    C1=C(C(=CC(=C1Cl)O)O)C=O
    InChIKey
    IPOSHVWRFQTHGK-UHFFFAOYSA-N
    InChI
    1S/C7H5ClO3/c8-5-1-4(3-9)6(10)2-7(5)11/h1-3,10-11H
    Synonyms
    5-chloro-2,4-dihydroxybenzaldehyde|131088-02-3|2,4-dihydroxy-5-chlorobenzaldehyde|MFCD18324145|Benzaldehyde, 5-chloro...
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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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