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. Amino-PEG9-amine
    CAS: 474082-35-4 Formula: C20H44N2O9 Molecular Weight: 456.6
    ● In Stock — US warehouse, ships to EU* Item #: A412715
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    IUPAC Name
    2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
    SMILES
    C(COCCOCCOCCOCCOCCOCCOCCOCCOCCN)N
    InChIKey
    YWYRXJJAEDMZGY-UHFFFAOYSA-N
    InChI
    1S/C20H44N2O9/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h1-22H2
  2. Aminophylline, Adenosine receptor antagonist
    CAS: 317-34-0 EC Number: 206-264-5 Formula: C16H24N10O4 Molecular Weight: 420.43
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408079
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    Synonyms
    Phyllocontin | 3,​9-​dihydro-​1,​3-​dimethyl-1H-​purine-​2,​6-​dione
  3. Amisulpride-d5
    CAS: 1216626-17-3 Formula: C17H22D5N3O4S Molecular Weight: 374.51
    ● In Stock — US warehouse, ships to EU* Item #: A337449
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    IUPAC Name
    4-amino-5-ethylsulfonyl-2-methoxy-N-[[1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methyl]benzamide
    SMILES
    CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC
    InChIKey
    NTJOBXMMWNYJFB-SGEUAGPISA-N
    InChI
    1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)/i1D3,4D2
    Synonyms
    4-Amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide-d5
  4. Amitraz solution
    CAS: 33089-61-1 EC Number: 251-375-4 Formula: C19H23N3 Molecular Weight: 293.41
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. 100ug/ml in methanol
    ● In Stock — US warehouse, ships to EU* Item #: A114818
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    IUPAC Name
    N'-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)iminomethyl]-N-methylmethanimidamide
    SMILES
    CC1=CC(=C(C=C1)N=CN(C)C=NC2=C(C=C(C=C2)C)C)C
    InChIKey
    QXAITBQSYVNQDR-UHFFFAOYSA-N
    InChI
    1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3
    Synonyms
    BAAM | Bipin | BTS 27419 | AI3-27967 | 1,5-Di-(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene | 2,4-Xylidin...
  5. Amitriptyline, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2C receptor;Antagonist of 5-HT 6 receptor;Antagonist of 5-HT 7 receptor;Antagonist of H 1 receptor;Channel blocker of K ir3.2;Channel blocker of K ir3.4;Antagonist of LPA 1 receptor;Antagonist of M 1 recep
    CAS: 50-48-6 EC Number: 200-041-6 Formula: C20H23N Molecular Weight: 277.41
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A424342
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    IUPAC Name
    N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
    SMILES
    CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
    InChIKey
    KRMDCWKBEZIMAB-UHFFFAOYSA-N
    InChI
    1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
    Synonyms
    amitriptyline|50-48-6|Damitriptyline|Amitriptylin|Triptanol|Flavyl|Seroten|Proheptadiene|Elavil|Lantron|Triptisol|Try...
  6. Amitriptyline HCl, Norepinephrine transporter inhibitor
    CAS: 549-18-8 EC Number: 208-964-6 Formula: C20H23N · HCl Molecular Weight: 313.86
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408601
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    Synonyms
    1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride (1:1)
  7. Amlodipine Maleate, Voltage-gated L-type calcium channel blocker
    CAS: 1357024-06-6 PubChem CID: 6435922 Formula: C₂₅H₃₁ClN₂O₉ Molecular Weight: 538.97
    ◐ .Made to order · 8–12 wks Item #: A353265
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    IUPAC Name
    (Z)-but-2-enedioic acid;3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
    SMILES
    CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C(=CC(=O)O)C(=O)O
    InChIKey
    TZNOWAJJWCGILX-BTJKTKAUSA-N
    InChI
    1S/C20H25ClN2O5.C4H4O4/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3show more
    Synonyms
    AMLODIPINE MALEATE [MART.] | BCP12616 | Amlodipine maleate [USAN] | Amlodipine Maleate; 2-[(2-Aminoethoxy)methyl]-4-(...
  8. Amiselimod hydrochloride, Sphingosine 1-phosphate receptor modulator
    CAS: 942398-84-7 PubChem CID: 67418070 Formula: C19H31ClF3NO3 Molecular Weight: 413.90
    ● In Stock — US warehouse, ships to EU* Item #: A412394
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    IUPAC Name
    2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;hydrochloride
    SMILES
    CCCCCCCOC1=C(C=C(C=C1)CCC(CO)(CO)N)C(F)(F)F.Cl
    InChIKey
    GEDVJGOVRLHFQG-UHFFFAOYSA-N
    InChI
    1S/C19H30F3NO3.ClH/c1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25;/h7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3;1H
    Synonyms
    MT-1303 hydrochlorideMT-1303 hydrochloride | E73478 | SY035738 | BS-17941 | Q27274184 | Amiselimod hydrochloride (USA...
  9. Amitraz solution
    CAS: 33089-61-1 EC Number: 251-375-4 Formula: C19H23N3 Molecular Weight: 293.41
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. 10ug/ml in methanol
    ● In Stock — US warehouse, ships to EU* Item #: A114820
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  10. Amlodipine, Gating inhibitor of Ca v1.2;Gating inhibitor of Ca v1.3;Allosteric modulator of P2X4
    CAS: 88150-42-9 EC Number: 618-119-7 Formula: C20H25ClN2O5 Molecular Weight: 408.88
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408387
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    Technical Identifiers
    Synonyms
    UK-48340 | 2-​[(2-​aminoethoxy)​methyl]​-​4-​(2-​chlorophenyl)​-​1,​4-​dihydro-​6-​methyl-​3,​5-​pyridinedicarboxylic...
  11. Amlodipine Besylate
    CAS: 111470-99-6 EC Number: 601-097-8 Formula: C20H25ClN2O5·C6H5SO3H Molecular Weight: 567.05
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408203
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    Technical Identifiers
    Synonyms
    2-​[(2-​aminoethoxy)​methyl]​-​4-​(2-​chlorophenyl)​-​1,​4-​dihydro-​6-​methyl-3,​5-​pyridinedicarboxylic acid-3-​eth...
  12. Amlodipine maleate
    CAS: 88150-47-4 EC Number: 629-849-0 PubChem CID: 6435922 Formula: C20H25N2O5Cl.C4H4O4 Molecular Weight: 524.94
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A426657
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    Technical Identifiers
    IUPAC Name
    (Z)-but-2-enedioic acid;3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
    SMILES
    CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C(=CC(=O)O)C(=O)O
    InChIKey
    TZNOWAJJWCGILX-BTJKTKAUSA-N
    InChI
    1S/C20H25ClN2O5.C4H4O4/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3show more
    Synonyms
    AMLODIPINE MALEATE [MART.] | BCP12616 | Amlodipine maleate [USAN] | Amlodipine Maleate; 2-[(2-Aminoethoxy)methyl]-4-(...
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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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