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. Domperidone-d6
    CAS: 1329614-18-7 Formula: C22H18D6ClN5O2 Molecular Weight: 431.95
    ● In Stock — US warehouse, ships to EU* Item #: D354137
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    IUPAC Name
    6-chloro-3-[1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
    SMILES
    C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O
    InChIKey
    FGXWKSZFVQUSTL-WIQKFUDUSA-N
    InChI
    1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,show more
    Synonyms
    5-Chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one-d6 ...
  2. Donafenib (Sorafenib D3)
    CAS: 1130115-44-4 Formula: C21H13D3ClF3N4O3 Molecular Weight: 467.84
    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 #: D420672
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    IUPAC Name
    4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide
    SMILES
    CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
    InChIKey
    MLDQJTXFUGDVEO-FIBGUPNXSA-N
    InChI
    1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)/ishow more
    Synonyms
    DTXSID90648995 | SCHEMBL3817 | s9621 | SCHEMBL14480690 | 2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)...
  3. Donepezil hydrochloride monohydrate, Inhibitor of acetylcholinesterase (Cartwright blood group)
    CAS: 120014-06-4 EC Number: 601-651-9 Formula: C24H29NO3 · HCl · H2O Molecular Weight: 433.97
    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 #: D420884
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    Synonyms
    NSC 737535|DONEPEZIL [MI]|(RS)-2-[(1-BENZYL-4-PIPERIDYL)METHYL]-5,6-DIMETHOXYINDAN-1-ONE|8SSC91326P|SCHEMBL8265876|(+...
  4. Dopamine HCl, Beta-1 adrenergic receptor agonist
    CAS: 62-31-7 EC Number: 200-527-8 Formula: C8H11NO2·HCl Molecular Weight: 189.64
    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 #: D408026
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    Synonyms
    4-(2-aminoethyl)benzene-1,2-diol hydrochloride
  5. Dopamine solution
    CAS: 62-31-7 EC Number: 200-527-8 Formula: C8H11NO2·HCl Molecular Weight: 189.64
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 1.00mg/ml in methanol
    ● In Stock — US warehouse, ships to EU* Item #: D121757
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    IUPAC Name
    4-(2-aminoethyl)benzene-1,2-diol;hydrochloride
    SMILES
    C1=CC(=C(C=C1CCN)O)O.Cl
    InChIKey
    CTENFNNZBMHDDG-UHFFFAOYSA-N
    InChI
    1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H
    Synonyms
    4-(2-aminoethyl)benzene-1,2-diol hydrochloride | Hydrochloride, Dopamine | intropin | LP00586 | s2529 | 3,4-dihydroxy...
  6. Dopexamine hydrochloride
    CAS: 86484-91-5 PubChem CID: 68603 Formula: C22H34Cl2N2O2 Molecular Weight: 429.42
    ◐ .Made to order · 8–12 wks Item #: D350623
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    IUPAC Name
    4-[2-[6-(2-phenylethylamino)hexylamino]ethyl]benzene-1,2-diol;dihydrochloride
    SMILES
    C1=CC=C(C=C1)CCNCCCCCCNCCC2=CC(=C(C=C2)O)O.Cl.Cl
    InChIKey
    VPDULUNRSQWWJB-UHFFFAOYSA-N
    InChI
    1S/C22H32N2O2.2ClH/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19;;/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2;2*1H
    Synonyms
    DTXSID40235591 | 0VN909S60Y | UNII-0VN909S60Y | FPL 60278AR | dopexamine dihydrochloride | 4-(2-((6-(Phenethylamino)h...
  7. Doramapimod (BIRB 796), MAP kinase p38 alpha inhibitor
    CAS: 285983-48-4 EC Number: 111-112-5 Formula: C31H37N5O3 Molecular Weight: 527.67
    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 #: D408878
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    Synonyms
    1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea
  8. Doravirine (MK-1439), Reverse transcriptase negative allosteric modulator
    CAS: 1338225-97-0 EC Number: 807-060-4 Formula: C17H11ClF3N5O3 Molecular Weight: 425.75
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D421278
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    IUPAC Name
    3-chloro-5-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile
    SMILES
    CN1C(=NNC1=O)CN2C=CC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F
    InChIKey
    ZIAOVIPSKUPPQW-UHFFFAOYSA-N
    InChI
    1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)
    Synonyms
    Doravirine [USAN] | SCHEMBL2509885 | 4ncg | AKOS030528603 | doravirina | DORAVIRINE [ORANGE BOOK] | Eudesma-4(14),11(...
  9. Dovitinib (TKI-258), Inhibitor of colony stimulating factor 1 receptor;Inhibitor of epidermal growth factor receptor;Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fibroblast growth factor receptor 3;Inhibitor of fms related receptor tyrosine kinase 1;Inhibitor
    CAS: 405169-16-6 Formula: C21H21FN6O Molecular Weight: 392.43
    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 #: D408777
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    Synonyms
    CHIR-258 | 1-amino-5-fluoro-3-(6-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)quinolin-2(1H)-one
  10. Dopamine 4-O-Sulfate
    CAS: 38339-02-5 Formula: C8H11NO5S Molecular Weight: 233.24
    ◐ .Made to order · 8–12 wks Item #: D349660
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    IUPAC Name
    [4-(2-aminoethyl)-2-hydroxyphenyl] hydrogen sulfate
    SMILES
    C1=CC(=C(C=C1CCN)O)OS(=O)(=O)O
    InChIKey
    DEKNNWJXAQTLFA-UHFFFAOYSA-N
    InChI
    1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)
    Synonyms
    Dopamine 4-sulfate | 3-Hydroxytyramine-4-O-sulfate | [4-(2-aminoethyl)-2-hydroxyphenyl] hydrogen sulfate | Dopamine s...
  11. Dovitinib (TKI-258) Dilactic Acid
    CAS: 852433-84-2 Formula: C21H21FN6O·2C3H6O3 Molecular Weight: 572.59
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: D426285
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    IUPAC Name
    4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one;2-hydroxypropanoic acid
    SMILES
    CC(C(=O)O)O.CC(C(=O)O)O.CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
    InChIKey
    XXLPVQZYQCGXOV-UHFFFAOYSA-N
    InChI
    1S/C21H21FN6O.2C3H6O3/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;2*1-2(4)3(5)6/h2-6,11H,7-10H2,1H3,show more
    Synonyms
    CHIR-258 Dilactic acid | Propanoic acid, 2-hydroxy-, compd. with 4-amino-5-fluoro-3-[6-(4-methyl-1-piperazinyl)-1H-be...
  12. Dronedarone HCl, Voltage-gated L-type calcium channel blocker
    CAS: 141625-93-6 EC Number: 630-355-2 Formula: C31H44N2O5S·HCl Molecular Weight: 593.22
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D408521
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    Synonyms
    SR33589 | N-​[2-​butyl-​3-​[4-​[3-​(dibutylamino)​propoxy]​benzoyl]​-​5-​benzofuranyl]​-methanesulfonamide,hydrochlor...
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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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