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. 2-(3-Thienyl)ethylamine
    CAS: 59311-67-0 EC Number: 977-434-0 PubChem CID: 12258737 Formula: C6H9NS Molecular Weight: 127.21
    ● In Stock — US warehouse, ships to EU* Item #: T337701
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    IUPAC Name
    2-thiophen-3-ylethanamine
    SMILES
    C1=CSC=C1CCN
    InChIKey
    OANLWIQYRRVBPY-UHFFFAOYSA-N
    InChI
    1S/C6H9NS/c7-3-1-6-2-4-8-5-6/h2,4-5H,1,3,7H2
    Synonyms
    F2189-0507 | FT-0640595 | BS-12834 | DTXSID50482771 | MFCD00176329 | BDBM50581616 | EN300-33653 | 2-(THIOPHEN-3-YL)ET...
  2. (±)-Clopidogrel hydrochloride
    CAS: 130209-90-4 Formula: C16H16NO2SCl·HCl Molecular Weight: 358.28
    ● In Stock — US warehouse, ships to EU* Item #: C287321
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    IUPAC Name
    methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;hydrochloride
    SMILES
    COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.Cl
    InChIKey
    XIHVAFJSGWDBGA-UHFFFAOYSA-N
    InChI
    1S/C16H16ClNO2S.ClH/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;/h2-5,7,9,15H,6,8,10H2,1H3;1H
    Synonyms
    (+/-)-Clopidogrel hydrochloride | Methyl 2-(4,5,6,7-tetrahydrothieno[3,2-c]p yridin-5-yl)-2-(2-chlorophenyl)acetate h...
  3. (±)-J 113397
    CAS: 217461-40-0 PubChem CID: 90488772 Formula: C₂₄H₃₇N₃O₂ Molecular Weight: 399.57
    ◐ .Made to order · 8–12 wks Item #: J287289
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    SMILES
    CCN1C4=C(C=CC=C4)N([C@@H]2CCN(CC3CCCCCCC3)C[C@H]2CO)C1=O.CCN5C8=C(C=CC=C8)N([C@H]6CCN(CC7CCCCCCC7)C[C@@H]6CO)C5=O
    InChIKey
    NLSVMRCGZVSAFK-SDNSQTLOSA-N
    Synonyms
    (±)-1-[(3R*,4R*)-1-(Cyclooctylmethyl)-3-(hydroxymethyl)-4-piperidinyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one
  4. (±)-Metoprolol (+)-tartrate salt
    CAS: 56392-17-7 EC Number: 260-148-9 Formula: C34H56N2O12 Molecular Weight: 684.81
    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 #: M111945
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    IUPAC Name
    2,3-dihydroxybutanedioic acid;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
    SMILES
    CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(C(C(=O)O)O)(C(=O)O)O
    InChIKey
    YGULWPYYGQCFMP-UHFFFAOYSA-N
    InChI
    1S/2C15H25NO3.C4H6O6/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,show more
    Synonyms
    NSC-757105 | SCHEMBL2051655 | Seloken | HMS3651I21 | Metoprolol tartrate | 1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methyl...
  5. (±)-Epinephrine hydrochloride
    CAS: 329-63-5 EC Number: 206-346-0 Formula: C9H13NO3 · HCl Molecular Weight: 219.67
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: L137183
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    IUPAC Name
    4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride
    SMILES
    CNCC(C1=CC(=C(C=C1)O)O)O.Cl
    InChIKey
    ATADHKWKHYVBTJ-UHFFFAOYSA-N
    InChI
    1S/C9H13NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,9-13H,5H2,1H3;1H
    Synonyms
    Racepinefrine hydrochloride | Racepinephrine HCl | (+/-)-Epinephrine hydrochloride | Asthmanefrin | DL-Epinephrine (h...
  6. (β,β-Dimethylacryl)shikonin
    CAS: 24502-79-2 Formula: C21H22O6 Molecular Weight: 370.40
    ● In Stock — US warehouse, ships to EU* Item #: B299092
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    IUPAC Name
    [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate
    SMILES
    CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C
    InChIKey
    BATBOVZTQBLKIL-QGZVFWFLSA-N
    InChI
    1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m1/s1
    Synonyms
    [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate | 2-Butenoic acid, 3-methy...
  7. 2′,3′,5′-Triacetyl-azacytidine
    CAS: 10302-78-0 PubChem CID: 24864108 Formula: C14H18N4O8 Molecular Weight: 370.31
    ◐ .Made to order · 8–12 wks Item #: T336695
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    IUPAC Name
    [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methyl acetate
    SMILES
    CC(=O)OCC1C(C(C(O1)N2C=NC(=NC2=O)N)OC(=O)C)OC(=O)C
    InChIKey
    OTQJVHISAFFLMA-DDHJBXDOSA-N
    InChI
    1S/C14H18N4O8/c1-6(19)23-4-9-10(24-7(2)20)11(25-8(3)21)12(26-9)18-5-16-13(15)17-14(18)22/h5,9-12H,4H2,1-3H3,(H2,15,17,22)/t9-,10-,11-,12-/m1/s1
  8. 1,1,3,3-tetraethoxy-2-methylpropane
    CAS: 10602-37-6 Formula: C12H26O4 Molecular Weight: 234.33
    Liquid ≥98%
    ◐ .Made to order · 8–12 wks Item #: T302154
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    IUPAC Name
    1,1,3,3-tetraethoxy-2-methylpropane
    SMILES
    CCOC(C(C)C(OCC)OCC)OCC
    InChIKey
    XTYLJMKJLMHFJK-UHFFFAOYSA-N
    InChI
    1S/C12H26O4/c1-6-13-11(14-7-2)10(5)12(15-8-3)16-9-4/h10-12H,6-9H2,1-5H3
    Synonyms
    1,1,3,3-Tetraethoxy-2-methylpropane|10602-37-6|1,1,3,3-tetraethoxy-2-methyl-propane|T2853P7X59|EINECS 234-225-2|2-Met...
  9. 1,1-Dimethyl-4-phenylpiperazinium iodide
    CAS: 54-77-3 Formula: C12H19IN2 Molecular Weight: 318.2
    ● In Stock — US warehouse, ships to EU* Item #: D276556
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    IUPAC Name
    1,1-dimethyl-4-phenylpiperazin-1-ium;iodide
    SMILES
    C[N+]1(CCN(CC1)C2=CC=CC=C2)C.[I-]
    InChIKey
    XFZJGFIKQCCLGK-UHFFFAOYSA-M
    InChI
    1S/C12H19N2.HI/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1
    Synonyms
    C07488 | 1,1-Dimethyl-4-phenylpiperaziniumiodide(DMPP) | CHEBI:4290 | 1-Methyl-4-phenylpiperazinium 1-Methiodide | SR...
  10. SYN1143
    CAS: 913376-84-8 Formula: C31H29FN4O5 Molecular Weight: 556.59
    ● In Stock — US warehouse, ships to EU* Item #: C331456
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    IUPAC Name
    N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
    SMILES
    CC1=C(C(=O)N(N1CC(C)(C)O)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)OC)F
    InChIKey
    UYMSIPINLJNNOU-UHFFFAOYSA-N
    InChI
    1S/C31H29FN4O5/c1-19-28(30(38)36(21-8-6-5-7-9-21)35(19)18-31(2,3)39)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(40-4)11-12-23(25)26/h5-17show more
    Synonyms
    BDBM24465 | N-(3-Fluoro-4-((7-methoxyquinolin-4-yl)oxy)phenyl)-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2...
  11. 2,5,8,11,14,17-Hexaoxanonadecan-19-amine
    CAS: 184357-46-8 Formula: C13H29NO6 Molecular Weight: 295.37
    ● In Stock — US warehouse, ships to EU* Item #: H122037
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    Technical Identifiers
    IUPAC Name
    2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
    SMILES
    COCCOCCOCCOCCOCCOCCN
    InChIKey
    JDTWBXXBTWYNAT-UHFFFAOYSA-N
    InChI
    1S/C13H29NO6/c1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14/h2-14H2,1H3
    Synonyms
    SY251139 | HY-130408 | DTXSID40601590 | MFCD16619273 | BP-22076 | 1-amino-3,6,9,12,15,18-hexaoxanonadecane | JDTWBXXB...
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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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