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

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 —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. Picfeltarraenin IA
    CAS: 97230-47-2 PubChem CID: 91884878 Formula: C41H62O13 Molecular Weight: 762.928
    ● In Stock — US warehouse, ships to EU* Item #: P196127
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    Technical Identifiers
    IUPAC Name
    (2R)-2-[(3R,8S,9R,10R,13R,14S,16R,17R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-16-hydroshow more
    SMILES
    CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4C(=CCC5C4(C(=O)CC6(C5(CC(C6C7(C(=O)C=C(O7)C(C)C)C)O)C)C)C)C3(C)C)O)O)O)O)O
    InChIKey
    WPXIIGGPWPYUSJ-CUXXYAFUSA-N
    InChI
    1S/C41H62O13/c1-18(2)24-14-26(44)41(9,54-24)34-22(42)15-38(6)25-12-10-20-21(40(25,8)27(45)16-39(34,38)7)11-13-28(37(20,4)5)52-36-33(30(47)23(43)17-50-show more
    Synonyms
    CCG-270444 | Picfeltarraenin IA | s9138 | HMS3887E09 | HY-N1474 | Picfeltarraenin A | (2R)-2-[(3R,8S,9R,10R,13R,14S,1...
  2. (1R,4S)-N-Desmethyl Sertraline Hydrochloride
    CAS: 675126-08-6 PubChem CID: 25192248 Formula: C16H16Cl3N Molecular Weight: 328.66
    ● In Stock — US warehouse, ships to EU* Item #: R355517
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    IUPAC Name
    (1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
    SMILES
    C1CC(C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl)N.Cl
    InChIKey
    YKXHIERZIRLOLD-DFIJPDEKSA-N
    InChI
    1S/C16H15Cl2N.ClH/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13;/h1-5,7,9,11,16H,6,8,19H2;1H/t11-,16+;/m0./s1
    Synonyms
    SEP-225289 hydrochloride
  3. (1R,4S,4aR,9aS)-rel-4a-Methyl-1,4,4a,9a-tetrahydro-1,4-methanoanthracene-9,10-dione
    CAS: 97804-50-7 EC Number: 805-412-1 PubChem CID: 10988325 Formula: C16H14O2 Molecular Weight: 238.28
    Solid ≥97%
    ◐ .Made to order · 8–12 wks Item #: R305051
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    IUPAC Name
    (1S,2R,11S,12R)-2-methyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione
    SMILES
    CC12C3CC(C1C(=O)C4=CC=CC=C4C2=O)C=C3
    InChIKey
    NELNWZJOZOSDFH-YBFQDZRDSA-N
    InChI
    1S/C16H14O2/c1-16-10-7-6-9(8-10)13(16)14(17)11-4-2-3-5-12(11)15(16)18/h2-7,9-10,13H,8H2,1H3/t9-,10+,13+,16+/m0/s1
    Synonyms
    DTXSID90450959 | MFCD29044886 | A1-42386 | A858610 | (1R,4S,4aR,9aS)-rel-1,4,4a,9a-Tetrahydro-4a-methyl-1,4-methanoan...
  4. (RS)-4-Carboxyphenylglycine
    CAS: 7292-81-1 PubChem CID: 5115 Formula: C9H9NO4 Molecular Weight: 195.17
    ◐ .Made to order · 8–12 wks Item #: R337150
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    IUPAC Name
    4-[amino(carboxy)methyl]benzoic acid
    SMILES
    C1=CC(=CC=C1C(C(=O)O)N)C(=O)O
    InChIKey
    VTMJKPGFERYGJF-UHFFFAOYSA-N
    InChI
    1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)
    Synonyms
    CHEBI:178134 | F14594 | 4-Carboxylphenylglycine | MFCD00673852 | NCI60_015099 | 4-carboxyphenylglycine | FT-0694231 |...
  5. (S)-(+)-Camptothecin
    CAS: 7689-03-4 EC Number: 616-407-7 Formula: C20H16N2O4 Molecular Weight: 348.35
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: C111282
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    Technical Identifiers
    IUPAC Name
    (19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
    SMILES
    CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
    InChIKey
    VSJKWCGYPAHWDS-FQEVSTJZSA-N
    InChI
    1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
    Synonyms
    Camptothecine | CAS-2114454 | SCHEMBL6038 | Spectrum4_000738 | SpecPlus_000712 | Prestwick2_000200 | DTXSID0030956 | ...
  6. Tyropanoic Acid
    CAS: 27293-82-9 PubChem CID: 5611 Formula: C₁₆H₂₀I₃NO₃ Molecular Weight: 655.05
    ◐ .Made to order · 8–12 wks Item #: T346401
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    Technical Identifiers
    IUPAC Name
    2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]butanoic acid
    SMILES
    CCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)O)I)I
    InChIKey
    YMOXVLQZFAUUKI-UHFFFAOYSA-N
    InChI
    1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)
    Synonyms
    EINECS 248-389-8 | Bilopac | TYROPANIC ACID | Tyropanoic acid sodium salt | Hydrocinnamic acid, 3-butyramido-.alpha.-...
  7. 15-Acetoxyscirpenol
    CAS: 2623-22-5 Formula: C17H24O6 Molecular Weight: 324.37
    ● In Stock — US warehouse, ships to EU* Item #: A139824
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    Synonyms
    15-Acetoxyscirpendiol | 15-Acetoxy-3α,4β-dihydroxy-12,13-epoxytrichothec-9-ene | 15-Acetoxyscirpen-3,4-diol | (3-alph...
  8. 1,2-Diphenyl-1-ethanone oxime
    CAS: 952-06-7 Formula: C14H13NO Molecular Weight: 211.27
    ● In Stock — US warehouse, ships to EU* Item #: D305025
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    IUPAC Name
    N-(1,2-diphenylethylidene)hydroxylamine
    SMILES
    C1=CC=C(C=C1)CC(=NO)C2=CC=CC=C2
    InChIKey
    PWCUVRROUAKTLL-UHFFFAOYSA-N
    InChI
    1S/C14H13NO/c16-15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,16H,11H2
    Synonyms
    1,2-diphenyl-1-ethanone oxime|952-06-7|DeoxyBenzoinOxime|N-(1,2-diphenylethylidene)hydroxylamine|Ethanone, 1,2-diphen...
  9. Cimaterol-d7
    CAS: 1228182-44-2 EC Number: 688-170-8 Formula: C12D7H10N3O Molecular Weight: 226.33
    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%,≥98 atom% D
    ◐ .Made to order · 8–12 wks Item #: C266128
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    IUPAC Name
    2-amino-5-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-1-hydroxyethyl]benzonitrile
    SMILES
    CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O
    InChIKey
    BUXRLJCGHZZYNE-UNAVHCQLSA-N
    InChI
    1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3/i1D3,2D3,8D
    Synonyms
    1228182-44-2 | 2-amino-5-(1-hydroxy-2-{[(1,1,1,2,3,3,3-?H?)propan-2-yl]amino}ethyl)benzonitrile | Cimaterol D7 | 2-Am...
  10. 1,3-Dichloro-1,3-Diphenyl-1,3-Dimethyl-Disiloxane
    CAS: 3582-72-7 Formula: C14H16Cl2OSi2 Molecular Weight: 327.357
    ◐ .Made to order · 8–12 wks Item #: D303532
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    IUPAC Name
    chloro-(chloro-methyl-phenylsilyl)oxy-methyl-phenylsilane
    SMILES
    C[Si](C1=CC=CC=C1)(O[Si](C)(C2=CC=CC=C2)Cl)Cl
    InChIKey
    AUWRUFAJYVQXSH-UHFFFAOYSA-N
    InChI
    1S/C14H16Cl2OSi2/c1-18(15,13-9-5-3-6-10-13)17-19(2,16)14-11-7-4-8-12-14/h3-12H,1-2H3
    Synonyms
    3582-72-7|1,3-Dichloro-1,3-dimethyl-1,3-diphenyldisiloxane|Disiloxane, 1,3-dichloro-1,3-dimethyl-1,3-diphenyl-|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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