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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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

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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. 6-Methyl-2,2'-bipyridine
    CAS: 56100-22-2 EC Number: 624-978-9 Formula: C11H10N2 Molecular Weight: 170.21
    ◐ .Made to order · 8–12 wks Item #: M303996
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    Technical Identifiers
    IUPAC Name
    2-methyl-6-pyridin-2-ylpyridine
    SMILES
    CC1=NC(=CC=C1)C2=CC=CC=N2
    InChIKey
    LLCYXFYLGPOKQO-UHFFFAOYSA-N
    InChI
    1S/C11H10N2/c1-9-5-4-7-11(13-9)10-6-2-3-8-12-10/h2-8H,1H3
    Synonyms
    6-Methyl-2,2'-dipyridyl, 97% | SCHEMBL254903 | 6-methyl-2,2'-bipyridine | 6-methyl-2,2-bipyridine | 6-methyl-2-(2-pyr...
  2. 6-Methyl-2-(2-pyridinyl)-4-pyrimidinol
    CAS: 55417-80-6 Formula: C10H9N3O Molecular Weight: 187.2
    ● In Stock — US warehouse, ships to EU* Item #: M349519
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    IUPAC Name
    4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
    SMILES
    CC1=CC(=O)NC(=N1)C2=CC=CC=N2
    InChIKey
    DQUCWFVHSABFCW-UHFFFAOYSA-N
    InChI
    1S/C10H9N3O/c1-7-6-9(14)13-10(12-7)8-4-2-3-5-11-8/h2-6H,1H3,(H,12,13,14)
    Synonyms
    CCG-1720 | DTXSID50369391 | Econopred (TN) | s5635 | RF 01053 | SCHEMBL19690959 | Metrifonatum [INN-Latin] | Oprea1_1...
  3. Esmolol hydrochloride, Beta-1 adrenergic receptor antagonist
    CAS: 81161-17-3 EC Number: 636-017-0 Formula: C16H26ClNO4 Molecular Weight: 331.84
    Solid ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: E304708
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    IUPAC Name
    methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate;hydrochloride
    SMILES
    CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O.Cl
    InChIKey
    GEKNCWBANDDJJL-UHFFFAOYSA-N
    InChI
    1S/C16H25NO4.ClH/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;1H
    Synonyms
    CCG-220890 | Esmolol hydrochloride- Bio-X | ESMOLOL HYDROCHLORIDE DOUBLE STRENGTH IN PLASTIC CONTAINER | 4-(2-hydroxy...
  4. Ethamsylate
    CAS: 2624-44-4 EC Number: 220-090-7 Formula: C6H6O5S·C4H11N Molecular Weight: 263.31
    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 #: E129511
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    IUPAC Name
    2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine
    SMILES
    CCNCC.C1=CC(=C(C=C1O)S(=O)(=O)O)O
    InChIKey
    HBGOLJKPSFNJSD-UHFFFAOYSA-N
    InChI
    1S/C6H6O5S.C4H11N/c7-4-1-2-5(8)6(3-4)12(9,10)11;1-3-5-4-2/h1-3,7-8H,(H,9,10,11);5H,3-4H2,1-2H3
    Synonyms
    E1145 | 24YL531VOH | Altodor | CHEBI:31563 | Etamsylate (JAN/INN) | HMS1571K11 | CCG-221015 | Dicynene | SR-010008383...
  5. Estramustine phosphate sodium, Estrogen receptor beta modulator
    CAS: 52205-73-9 PubChem CID: 444000 Formula: C23H30Cl2NNa2O6P Molecular Weight: 564.35
    ● In Stock — US warehouse, ships to EU* Item #: E275650
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    IUPAC Name
    disodium;[(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphatshow more
    SMILES
    CC12CCC3C(C1CCC2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na+].[Na+]
    InChIKey
    IIUMCNJTGSMNRO-VVSKJQCTSA-L
    InChI
    1S/C23H32Cl2NO6P.2Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;;/h3,5,14,18-21H,2,4,6-13Hshow more
    Synonyms
    Estramustine 17-(Dihydrogenphosphate) Disodium Salt | Leo-299 | Estramustine phosphate sodium hydrate | AC-1612 | dis...
  6. Ethanolamine
    CAS: 141-43-5 EC Number: 205-483-3 Formula: C2H7NO Molecular Weight: 61.08
    Liquid AR ? Analytical Reagent grade — high-purity chemicals meeting strict assay limits for lab analysis. Use when accuracy matters and trace impurities could skew results. ≥99%
    ● In Stock — Germany Item #: E103802
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    Technical Identifiers
    IUPAC Name
    2-aminoethanol
    SMILES
    C(CO)N
    InChIKey
    HZAXFHJVJLSVMW-UHFFFAOYSA-N
    InChI
    1S/C2H7NO/c3-1-2-4/h4H,1-3H2
    Synonyms
    1219802-89-7 | 2 Aminoethanol | 2 -aminoethanol | colamine | ethanolamin | Glycinol (monoethanolamine) | TROLAMINE IM...
  7. O,O-Dimethyl phosphoramidothioate
    CAS: 17321-47-0 Formula: C2H8NO2PS Molecular Weight: 141.13
    Liquid ≥90%
    ● In Stock — US warehouse, ships to EU* Item #: O305174
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    Technical Identifiers
    IUPAC Name
    [amino(methoxy)phosphinothioyl]oxymethane
    SMILES
    COP(=S)(N)OC
    InChIKey
    NKYPKIVMIGIWOB-UHFFFAOYSA-N
    InChI
    1S/C2H8NO2PS/c1-4-6(3,7)5-2/h1-2H3,(H2,3,7)
    Synonyms
    Amidate (pesticide) | E-118 amide | A811496 | AKOS006271579 | DMPAT | FT-0655504 | O,O-dimethylamidothiophosphate | N...
  8. 6-[(3R,4R)-3-(Acetyloxy)-N,4-dimethyl-6-oxo-L-norleucine] Cyclosporin A
    CAS: 121584-52-9 PubChem CID: 71312829 Formula: C62H109N11O14 Molecular Weight: 1232.59
    ● In Stock — US warehouse, ships to EU* Item #: R302636
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    Synonyms
    DTXSID70746928|(3R,14S)-5-(Dimethylamino)-3,15-dimethyl-14-[(N-methyl-L-leucyl)amino]-1,6,13-trioxohexadecan-4-yl ace...
  9. 6-Trifluoromethoxy-1H-indazole-3-carboxylic acid
    CAS: 869782-97-8 PubChem CID: 29921548 Formula: C9H5F3N2O3 Molecular Weight: 246.15
    Solid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: T342421
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    Technical Identifiers
    IUPAC Name
    6-(trifluoromethoxy)-1H-indazole-3-carboxylic acid
    SMILES
    C1=CC2=C(C=C1OC(F)(F)F)NN=C2C(=O)O
    InChIKey
    DBSBRTKNVSHDMD-UHFFFAOYSA-N
    InChI
    1S/C9H5F3N2O3/c10-9(11,12)17-4-1-2-5-6(3-4)13-14-7(5)8(15)16/h1-3H,(H,13,14)(H,15,16)
    Synonyms
    6-(Trifluoromethoxy)-1H-indazole-3-carboxylic acid
  10. Ethisterone
    CAS: 434-03-7 EC Number: 207-096-5 Formula: C21H28O2 Molecular Weight: 312.45
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: E129417
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    Technical Identifiers
    IUPAC Name
    (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    SMILES
    CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C#C)O)C
    InChIKey
    CHNXZKVNWQUJIB-CEGNMAFCSA-N
    InChI
    1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
    Synonyms
    Etisterona | A826270 | BPBio1_000114 | EC 207-096-5 | Pregneninolone | ETHISTERONE [INN] | HMS3712F04 | AB00384255-11...
  11. 6-[4-(1H-imidazol-1-yl)phenoxy]-N,N-dimethyl-1-hexanamine, dihydrochloride
    CAS: 502656-68-0 PubChem CID: 71433756 Formula: C17H27Cl2N3O Molecular Weight: 360.3
    ◐ .Made to order · 8–12 wks Item #: H344396
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    Technical Identifiers
    IUPAC Name
    6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine;dihydrochloride
    SMILES
    CN(C)CCCCCCOC1=CC=C(C=C1)N2C=CN=C2.Cl.Cl
    InChIKey
    SRCWAJONAASSNJ-UHFFFAOYSA-N
    InChI
    1S/C17H25N3O.2ClH/c1-19(2)12-5-3-4-6-14-21-17-9-7-16(8-10-17)20-13-11-18-15-20;;/h7-11,13,15H,3-6,12,14H2,1-2H3;2*1H
    Synonyms
    SR-01000946730 | 6-[4-(1H-Imidazol-1-yl)phenoxy]-N,N-dimethylhexan-1-amine--hydrogen chloride (1/2) | 6-(4-imidazol-1...
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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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