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. Lasofoxifene, Agonist of Estrogen receptor-α;Agonist of Estrogen receptor-β
    CAS: 180916-16-9 Formula: C28H31NO2 Molecular Weight: 413.55
    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 #: L333297
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    Technical Identifiers
    IUPAC Name
    (5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
    SMILES
    C1CCN(C1)CCOC2=CC=C(C=C2)C3C(CCC4=C3C=CC(=C4)O)C5=CC=CC=C5
    InChIKey
    GXESHMAMLJKROZ-IAPPQJPRSA-N
    InChI
    1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10show more
    Synonyms
    BCP03626 | cis-6-Phenvl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-ol | (-)-cis-5,6,7,8-Te...
  2. Medetomidine
    CAS: 86347-14-0 EC Number: 811-718-6 Formula: C13H16N2 Molecular Weight: 200.28
    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 #: M127026
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    IUPAC Name
    5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
    SMILES
    CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C
    InChIKey
    CUHVIMMYOGQXCV-UHFFFAOYSA-N
    InChI
    1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)
    Synonyms
    (+/-)-4-(alpha,2,3-trimethylbenzyl)imidazole | DB11428 | FT-0716677 | (S)-medetomidine; Dexmedetomidinum | HMS3651H20...
  3. 4-{[(4-Chlorophenyl)sulfanyl]methyl}phenylamine
    CAS: 6969-14-8 Formula: C13H12ClNS Molecular Weight: 249.76
    ● In Stock — US warehouse, ships to EU* Item #: C335605
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    IUPAC Name
    4-[(4-chlorophenyl)sulfanylmethyl]aniline
    SMILES
    C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)N
    InChIKey
    GLWJXRWRWISHMX-UHFFFAOYSA-N
    InChI
    1S/C13H12ClNS/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9,15H2
    Synonyms
    alpha-(p-Chlorophenylthio)-p-toluidine | 4-(((4-Chlorophenyl)thio)methyl)aniline | n-carbobenzoxy-l-prolinol | J-5131...
  4. 1-Tridecyne
    CAS: 26186-02-7 EC Number: 247-511-7 PubChem CID: 117754 Formula: C13H24 Molecular Weight: 180.33
    ● In Stock — US warehouse, ships to EU* Item #: T332514
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    IUPAC Name
    tridec-1-yne
    SMILES
    CCCCCCCCCCCC#C
    InChIKey
    GZEDKDBFUBPZNG-UHFFFAOYSA-N
    InChI
    1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4-13H2,2H3
    Synonyms
    1-Tridecyne | AS-56337 | MFCD00015074 | 1-C13H24 | EINECS 247-511-7 | AKOS006230182 | tridec-1-yne | tridecyne | FT-0...
  5. 1-Tosylpyrozole
    CAS: 6126-10-9 PubChem CID: 320750 Formula: C10H10N2O2S Molecular Weight: 222.26
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: T331282
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    IUPAC Name
    1-(4-methylphenyl)sulfonylpyrazole
    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=N2
    InChIKey
    XDFZXGSBGXAPLS-UHFFFAOYSA-N
    InChI
    1S/C10H10N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-2-7-11-12/h2-8H,1H3
    Synonyms
    1-(4-Toluenesulfonyl)pyrazole | NSC269428 | NSC-269428 | 1-TOSYLPYRAZOLE | A918497 | STK432193 | AC-13671 | XDFZXGSBG...
  6. 4-tert-butyl-1,3-thiazol-2-amine
    CAS: 74370-93-7 PubChem CID: 2734202 Formula: C7H12N2S Molecular Weight: 156.25
    ● In Stock — US warehouse, ships to EU* Item #: T334247
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    IUPAC Name
    4-tert-butyl-1,3-thiazol-2-amine
    SMILES
    CC(C)(C)C1=CSC(=N1)N
    InChIKey
    CUWZBHVYLVGOAB-UHFFFAOYSA-N
    InChI
    1S/C7H12N2S/c1-7(2,3)5-4-10-6(8)9-5/h4H,1-3H3,(H2,8,9)
    Synonyms
    HMS550E01 | Maybridge1_003081 | SY014226 | 4-tert-Butyl-thiazol-2-ylamine | 4-tert-Butylthiazol-2-ylamine | 2-Amino-4...
  7. 4-tert-Butyl-N-phenylaniline
    CAS: 4496-49-5 Formula: C16H19N Molecular Weight: 225.33
    ● In Stock — US warehouse, ships to EU* Item #: D303740
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    IUPAC Name
    4-tert-butyl-N-phenylaniline
    SMILES
    CC(C)(C)C1=CC=C(C=C1)NC2=CC=CC=C2
    InChIKey
    UOMXLEWVJZEVGP-UHFFFAOYSA-N
    InChI
    1S/C16H19N/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12,17H,1-3H3
    Synonyms
    4-tert-butyl-phenylaniline | p-t-butyldiphenylamine | Q27896157 | (4-tert-Butylphenyl)phenylamine; 4-tert-Butyl-N-phe...
  8. 2-Benzyl-1H-benzoimidazole
    CAS: 621-72-7 Formula: C14H12N2 Molecular Weight: 208.27
    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 #: B194244
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    Technical Identifiers
    IUPAC Name
    2-benzyl-1H-benzimidazole
    SMILES
    C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2
    InChIKey
    YTLQFZVCLXFFRK-UHFFFAOYSA-N
    InChI
    1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
    Synonyms
    A833626 | Bendazol;2-Benzylbenzimidazole | UNII-26601THN1D | DTXSID80211157 | 2-Benzyl-1H-benzoimidazole | Bendazolo ...
  9. 4-tert-Butylphenoxyacetic acid
    CAS: 1798-04-5 PubChem CID: 15718 Formula: C12H16O3 Molecular Weight: 208.26
    ● In Stock — US warehouse, ships to EU* Item #: T335984
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    IUPAC Name
    2-(4-tert-butylphenoxy)acetic acid
    SMILES
    CC(C)(C)C1=CC=C(C=C1)OCC(=O)O
    InChIKey
    FBIGAJNVRFKBJL-UHFFFAOYSA-N
    InChI
    1S/C12H16O3/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
    Synonyms
    2-(4-(tert-Butyl)phenoxy)acetic acid | 4-(1,1-Dimethylethyl)phenoxyacetic acid | Z56867222 | A812486 | 4-t-butylpheno...
  10. Bis-PEG3-NHS Ester
    CAS: 1314378-16-9 Formula: C18H24N2O11 Molecular Weight: 444.39
    ◐ .Made to order · 8–12 wks Item #: B181121
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    Technical Identifiers
    IUPAC Name
    (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]propanoate
    SMILES
    C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
    InChIKey
    OPGNUERFYQLUNP-UHFFFAOYSA-N
    InChI
    1S/C18H24N2O11/c21-13-1-2-14(22)19(13)30-17(25)5-7-27-9-11-29-12-10-28-8-6-18(26)31-20-15(23)3-4-16(20)24/h1-12H2
    Synonyms
    Diethylene glycol 1,2-bis(succinimidyl 3-oxypropionate) | Bis(2,5-dioxopyrrolidin-1-yl) 3,3'-((oxybis(ethane-2,1-diyl...
  11. Estradiol enanthate
    CAS: 4956-37-0 EC Number: 225-599-8 Formula: C25H36O3 Molecular Weight: 384.56
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: E355446
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    Technical Identifiers
    IUPAC Name
    [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate
    SMILES
    CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C
    InChIKey
    RFWTZQAOOLFXAY-BZDYCCQFSA-N
    InChI
    1S/C25H36O3/c1-3-4-5-6-7-24(27)28-23-13-12-22-21-10-8-17-16-18(26)9-11-19(17)20(21)14-15-25(22,23)2/h9,11,16,20-23,26H,3-8,10,12-15H2,1-2H3/t20-,21-,2show more
    Synonyms
    AKOS015918000 | -Estradiol;E2;17-Estradiol;17-Oestradiol | Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-heptanoate ...
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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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