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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137,059 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

2,814

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. Sulforhodamine 101 cadaverine trifluoroacetic salt
    CAS: 203866-87-9 PubChem CID: 131952941 Formula: C72H84N8O12S4 Molecular Weight: 1381.8
    ◐ .Made to order · 8–12 wks Item #: S276083
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    IUPAC Name
    4-(5-aminopentylsulfamoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yshow more
    SMILES
    C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=C(C=C8)S(=O)(=O)NCCCCCN)S(=O)(=O)[O-])CCC7.C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=show more
    InChIKey
    WNCWCKPLSRPVRY-UHFFFAOYSA-N
    InChI
    1S/2C36H42N4O6S2/c37-14-2-1-3-15-38-47(41,42)25-12-13-26(31(22-25)48(43,44)45)32-29-20-23-8-4-16-39-18-6-10-27(33(23)39)35(29)46-36-28-11-7-19-40-17-5show more
    Synonyms
    9-[2(or4)-[[(5-Aminopentyl)amino]sulfonyl]-4(or2)-sulfophenyl]-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2...
  2. Hydroxy Bupropion
    CAS: 357399-43-0 EC Number: 686-870-8 Formula: C13H18ClNO2 Molecular Weight: 255.74
    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 #: H341159
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    IUPAC Name
    2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol
    SMILES
    CC1C(OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)O
    InChIKey
    RCOBKSKAZMVBHT-UHFFFAOYSA-N
    InChI
    1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3
    Synonyms
    FT-0669438 | 2-(3-CHLOROPHENYL)-3,5,5-TRIMETHYLMORPHOLIN-2-OL | Hydroxy Bupropion | AS-6162 | 2-(3-Chlorophenyl)-3,5,...
  3. Ethyl 9H-perfluorononanoate
    CAS: 1799-47-9 Formula: C11H6F16O2 Molecular Weight: 474.14
    ● In Stock — US warehouse, ships to EU* Item #: E331025
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    IUPAC Name
    ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoate
    SMILES
    CCOC(=O)C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
    InChIKey
    HRSRZMSDVRJBEZ-UHFFFAOYSA-N
    InChI
    1S/C11H6F16O2/c1-2-29-4(28)6(16,17)8(20,21)10(24,25)11(26,27)9(22,23)7(18,19)5(14,15)3(12)13/h3H,2H2,1H3
    Synonyms
    FT-0626157 | ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecakis(fluoranyl)nonanoate | DTXSID40371923 | 2,2,3,3,4,4,5,5...
  4. K-252c
    CAS: 85753-43-1 EC Number: 632-917-2 Formula: C20H13N3O Molecular Weight: 311.34
    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%
    ◐ .Made to order · 8–12 wks Item #: K276286
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    IUPAC Name
    3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
    SMILES
    C1C2=C3C4=CC=CC=C4NC3=C5C(=C2C(=O)N1)C6=CC=CC=C6N5
    InChIKey
    MEXUTNIFSHFQRG-UHFFFAOYSA-N
    InChI
    1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
    Synonyms
    BRD-K93879806-001-01-4 | SCHEMBL5440281 | 3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa...
  5. δ-3 Cefaclor
    CAS: 152575-13-8 PubChem CID: 101170203 Formula: C10H14ClN3O4S Molecular Weight: 367.81
    ● In Stock — US warehouse, ships to EU* Item #: C354658
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    IUPAC Name
    (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
    SMILES
    C1=CC=C(C=C1)C(C(=O)NC2C3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
    InChIKey
    UPMVPDSZPOOATN-ULZUWYFZSA-N
    InChI
    1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-6,9-11,14H,17H2,(H,18,20)(H,22,23)/t9-,10-,11?,14-/m1/s1
    Synonyms
    5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-chloro-8-oxo-, [6R-[6alpha,7bet...
  6. δ2-Cefuroxime
    CAS: 229499-08-5 PubChem CID: 23659637 Formula: C16H16N4O8S Molecular Weight: 424.39
    ● In Stock — US warehouse, ships to EU* Item #: C355950
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    IUPAC Name
    (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
    SMILES
    CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)O
    InChIKey
    AIEMBSSBMKFDGU-YNZZGVKBSA-N
    InChI
    1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,6,10-11,14H,5H2,1H3,(H2,17,25)(H,18,21)(H,2show more
    Synonyms
    (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oc...
  7. Ethyl biphenyl-2-carboxylate
    CAS: 19926-49-9 Formula: C15H14O2 Molecular Weight: 226.275
    ● In Stock — US warehouse, ships to EU* Item #: E330600
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    IUPAC Name
    ethyl 2-phenylbenzoate
    SMILES
    CCOC(=O)C1=CC=CC=C1C2=CC=CC=C2
    InChIKey
    MWQIUPALMQMOSD-UHFFFAOYSA-N
    InChI
    1S/C15H14O2/c1-2-17-15(16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11H,2H2,1H3
    Synonyms
    MFCD00671951 | DTXSID10432838 | MWQIUPALMQMOSD-UHFFFAOYSA-N | Biphenyl-2-carboxylic acid ethyl ester | BS-50295 | Eth...
  8. 1-Tetradecyl isothiocyanate
    CAS: 3224-48-4 EC Number: 671-363-6 PubChem CID: 137861 Formula: C15H29NS Molecular Weight: 255.47
    ● In Stock — US warehouse, ships to EU* Item #: T332602
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    IUPAC Name
    1-isothiocyanatotetradecane
    SMILES
    CCCCCCCCCCCCCCN=C=S
    InChIKey
    PMVOXLZEOLARED-UHFFFAOYSA-N
    InChI
    1S/C15H29NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17/h2-14H2,1H3
    Synonyms
    SCHEMBL330890 | FT-0634729 | DTXSID50185997 | myristyl isothiocyanate | GEO-03397 | 1-Isothiocyanatotetradecane # | T...
  9. 1-Thiazol-5-yl-ethanone
    CAS: 91516-28-8 PubChem CID: 14042329 Formula: C5H5NOS Molecular Weight: 127.16
    ● In Stock — US warehouse, ships to EU* Item #: T332088
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    IUPAC Name
    1-(1,3-thiazol-5-yl)ethanone
    SMILES
    CC(=O)C1=CN=CS1
    InChIKey
    DBNLYQBYTOYCGO-UHFFFAOYSA-N
    InChI
    1S/C5H5NOS/c1-4(7)5-2-6-3-8-5/h2-3H,1H3
    Synonyms
    Ethanone, 1-(5-thiazolyl)- | EN300-79140 | SB39884 | SCHEMBL299024 | 1-(5-thiazolyl)ethanone | 1-(Thiazol-5-yl)ethano...
  10. Ethylene Diamine Dihydrochloride-d4
    CAS: 34334-71-9 Formula: C2H6D4Cl2N2 Molecular Weight: 137.04
    ● In Stock — US warehouse, ships to EU* Item #: E357542
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    IUPAC Name
    1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride
    SMILES
    C(CN)N.Cl.Cl
    InChIKey
    OHHBFEVZJLBKEH-RIZDZYNXSA-N
    InChI
    1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H/i1D2,2D2;;
    Synonyms
    1,1,2,2-tetradeuterioethane-1,2-diamine | Ethylene-d4-diamine dihydrochloride | D97903 | Ethylene Diamine Dihydrochlo...
  11. Sparteine Sulfate
    CAS: 299-39-8 PubChem CID: 230880 Formula: C15H28N2O4S Molecular Weight: 332.46
    ◐ .Made to order · 8–12 wks Item #: S358177
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    IUPAC Name
    7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;sulfuric acid
    SMILES
    C1CCN2CC3CC(C2C1)CN4C3CCCC4.OS(=O)(=O)O
    InChIKey
    FCEHFCFHANDXMB-UHFFFAOYSA-N
    InChI
    1S/C15H26N2.H2O4S/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-5(2,3)4/h12-15H,1-11H2;(H2,1,2,3,4)
    Synonyms
    AKOS000120423 | 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;sulfuric acid | SCHEMBL636202 | Sparteine, sulfate...
  12. N₃-PEG₃-CH₂CH₂COOtBu
    CAS: 252881-73-5 Formula: C13H25N3O5 Molecular Weight: 303.35
    Liquid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: N122164
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    IUPAC Name
    tert-butyl 3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoate
    SMILES
    CC(C)(C)OC(=O)CCOCCOCCOCCN=[N+]=[N-]
    InChIKey
    QUSLQIYNPWASRR-UHFFFAOYSA-N
    InChI
    1S/C13H25N3O5/c1-13(2,3)21-12(17)4-6-18-8-10-20-11-9-19-7-5-15-16-14/h4-11H2,1-3H3
    Synonyms
    3-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]propanoic acid 1,1-dimethylethyl ester
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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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