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. 3′-O-Acetylthymidine
    CAS: 21090-30-2 Formula: C12H16N2O6 Molecular Weight: 284.27
    ● In Stock — US warehouse, ships to EU* Item #: O353586
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    Technical Identifiers
    IUPAC Name
    [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
    SMILES
    CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OC(=O)C
    InChIKey
    IRFKBRPHBYCMQU-IVZWLZJFSA-N
    InChI
    1S/C12H16N2O6/c1-6-4-14(12(18)13-11(6)17)10-3-8(19-7(2)16)9(5-15)20-10/h4,8-10,15H,3,5H2,1-2H3,(H,13,17,18)/t8-,9+,10+/m0/s1
    Synonyms
    3'-O-Acetyl-D-thymidine
  2. (E)-4-Hydroxy-3-methoxycinnamic acid 4-O-β-D-glucopyranoside
    CAS: 117405-51-3 Formula: C16H20O9 Molecular Weight: 356.325
    ● In Stock — US warehouse, ships to EU* Item #: E302267
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    IUPAC Name
    (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
    SMILES
    COC1=C(C=CC(=C1)C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
    InChIKey
    IEMIRSXOYFWPFD-BJGSYIFTSA-N
    InChI
    1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-show more
    Synonyms
    A-D-glucopyranoside | HY-W047187 | D81027 | 2-Propenoic acid, 3-[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]-, (2E)...
  3. (2S,3R,4E)-2-Azido-3-(tert-butyldimethylsilyl)-erythro-sphingosine
    CAS: 114299-64-8 PubChem CID: 10917176 Formula: C24H49N3O2Si Molecular Weight: 439.75
    ◐ .Made to order · 8–12 wks Item #: S276026
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    IUPAC Name
    (E,2S,3R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxyoctadec-4-en-1-ol
    SMILES
    CCCCCCCCCCCCCC=CC(C(CO)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C
    InChIKey
    MALQUZUDYJXZJI-DWVLVAQTSA-N
    InChI
    1S/C24H49N3O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(22(21-28)26-27-25)29-30(5,6)24(2,3)4/h19-20,22-23,28H,7-18,21H2,1-6H3/b20-19+/t22-,23+/m0show more
    Synonyms
    (2S,3R,4E)-2-Azido-3-(tert-butyldimethylsilyl)-4-octadecene-3-ol
  4. [Tyr8]-Substance P
    CAS: 55614-10-3 PubChem CID: 9877153 Formula: C63H98N18O14S Molecular Weight: 1363.66
    ◐ .Made to order · 8–12 wks Item #: T275382
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    IUPAC Name
    (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonshow more
    SMILES
    CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCshow more
    InChIKey
    MSKLWPIJUANGPO-CUZNLEPHSA-N
    InChI
    1S/C63H98N18O14S/c1-36(2)32-45(57(90)74-41(53(68)86)26-31-96-3)73-52(85)35-72-54(87)46(34-38-18-20-39(82)21-19-38)78-58(91)47(33-37-12-5-4-6-13-37)79-show more
    Synonyms
    Substance P, tyrosine(8)- | 8-Tyr-substance P | Arg-Pro-Lys-Pro-Gln-Gln-Phe-Tyr-Gly-Leu-Met-NH2 | Substance P, tyr(8)...
  5. PBP 10
    CAS: 794466-43-6 PubChem CID: 90488957 Formula: C84H126N24O15 Molecular Weight: 1712.1
    ◐ .Made to order · 8–12 wks Item #: P288117
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    IUPAC Name
    [N-[(4S)-4-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[3-(diethylamino)-6-diethylazaniumyshow more
    SMILES
    CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCC(=O)N)show more
    InChIKey
    OIOWMSSANHIUTR-NVWDZAHRSA-N
    InChI
    1S/C84H126N24O15/c1-9-107(10-2)51-31-33-55-65(45-51)123-66-46-52(108(11-3)12-4)32-34-56(66)70(55)53-25-16-17-26-54(53)72(112)99-60(35-37-67(86)109)76(show more
  6. 1-chlorodibenzo[b,d]furan
    CAS: 84761-86-4 Formula: C12H7ClO Molecular Weight: 202.63
    ● In Stock — US warehouse, ships to EU* Item #: C304762
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    Technical Identifiers
    IUPAC Name
    1-chlorodibenzofuran
    SMILES
    C1=CC=C2C(=C1)C3=C(O2)C=CC=C3Cl
    InChIKey
    WRSMJZYBNIAAEE-UHFFFAOYSA-N
    InChI
    1S/C12H7ClO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H
    Synonyms
    1-CHLORODIBENZOFURAN|1-Chlorodibenzo[b,d]furan|84761-86-4|Chlorodibenzofuran|Dibenzofuran, 1-chloro|00SD1U3FL3|CCRIS ...
  7. 5-Oxo-5-(2-thienyl)valeric acid
    CAS: 22971-62-6 Formula: C9H10O3S Molecular Weight: 198.24
    ● In Stock — US warehouse, ships to EU* Item #: O341390
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    IUPAC Name
    5-oxo-5-thiophen-2-ylpentanoic acid
    SMILES
    C1=CSC(=C1)C(=O)CCCC(=O)O
    InChIKey
    GSQMRVFOHNXKOR-UHFFFAOYSA-N
    InChI
    1S/C9H10O3S/c10-7(3-1-5-9(11)12)8-4-2-6-13-8/h2,4,6H,1,3,5H2,(H,11,12)
    Synonyms
    5-(thien-2-yl)-5-oxopentanoic acid | A24242 | FT-0616563 | 5-Oxo-5-(thiophen-2-yl)pentanoic acid | 2-Thiophenepentano...
  8. 1H-Imidazo[4,5-b]pyridine-2-thiol
    CAS: 29448-81-5 EC Number: 800-473-0 Formula: C6H5N3S Molecular Weight: 151.19
    ● In Stock — US warehouse, ships to EU* Item #: H332511
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    IUPAC Name
    1,3-dihydroimidazo[4,5-b]pyridine-2-thione
    SMILES
    C1=CC2=C(NC(=S)N2)N=C1
    InChIKey
    ZLYRPVTXHARSPL-UHFFFAOYSA-N
    InChI
    1S/C6H5N3S/c10-6-8-4-2-1-3-7-5(4)9-6/h1-3H,(H2,7,8,9,10)
    Synonyms
    2H-Imidazo[4,5-b]pyridine-2-thione, 1,3-dihydro- | A1-00572 | NSC 403067 | S11897 | AKOS016002762 | CCG-321764 | 1,3-...
  9. 1H-Imidazole-1-sulfonyl azide, hydrochloride
    CAS: 952234-36-5 Formula: C3H4ClN5O2S Molecular Weight: 209.61
    ● In Stock — US warehouse, ships to EU* Item #: H305026
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    Technical Identifiers
    IUPAC Name
    N-diazoimidazole-1-sulfonamide;hydrochloride
    SMILES
    C1=CN(C=N1)S(=O)(=O)N=[N+]=[N-].Cl
    InChIKey
    XYURSCOGYWBRDR-UHFFFAOYSA-N
    InChI
    1S/C3H3N5O2S.ClH/c4-6-7-11(9,10)8-2-1-5-3-8;/h1-3H;1H
    Synonyms
    A854679 | 1H-Imidazole-1-sulfonyl Azide HCl | AKOS016015616 | BS-13556 | Imidazole-1-sulfonyl azide hydrochloride | 1...
  10. 1H-Indole-4-carbothioic acid amide
    CAS: 885272-40-2 PubChem CID: 50989600 Formula: C9H8N2S Molecular Weight: 176.24
    ● In Stock — US warehouse, ships to EU* Item #: H331523
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    Technical Identifiers
    IUPAC Name
    1H-indole-4-carbothioamide
    SMILES
    C1=CC(=C2C=CNC2=C1)C(=S)N
    InChIKey
    REPRZHLDHBWJIJ-UHFFFAOYSA-N
    InChI
    1S/C9H8N2S/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)
    Synonyms
    1H-INDOLE-4-CARBOTHIOICACIDAMIDE | AB28296 | A862105 | AKOS006294626 | 1H-INDOLE-4-CARBOTHIOIC ACID AMIDE | FT-069109...
  11. 1H-Indole-4-carboxylic acid hydrazide
    CAS: 885272-22-0 Formula: C9H9N3O Molecular Weight: 175.19
    ● In Stock — US warehouse, ships to EU* Item #: H331524
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    Technical Identifiers
    IUPAC Name
    1H-indole-4-carbohydrazide
    SMILES
    C1=CC(=C2C=CNC2=C1)C(=O)NN
    InChIKey
    VFWVCNABVVHCKS-UHFFFAOYSA-N
    InChI
    1S/C9H9N3O/c10-12-9(13)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,10H2,(H,12,13)
    Synonyms
    FT-0763876 | AKOS009458928 | CYSTEICACID | 1H-Indole-4-carboxylic acid, hydrazide | J-504707 | BL000525 | SS-6024 | 1...
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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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