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. (S)-Ketorolac
    CAS: 66635-92-5 EC Number: 112-659-2 Formula: C15H13NO3 Molecular Weight: 255.27
    ● In Stock — US Item #: K336997
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    Technical Identifiers
    IUPAC Name
    (1S)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
    SMILES
    C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O
    InChIKey
    OZWKMVRBQXNZKK-NSHDSACASA-N
    InChI
    1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m0/s1
    Synonyms
    HY-B0580A | DTXSID901317534 | SCHEMBL14892 | UNII-5H3TJ0A81K | Ketorolac, (S)- | (1S)-5-benzoyl-2,3-dihydro-1H-pyrrol...
  2. R-(+)-Oxiracetam
    CAS: 68252-28-8 EC Number: 835-216-1 Formula: C6H10N2O3 Molecular Weight: 158.16
    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%
    ◐ .Made to order · 8–12 wks Item #: R340633
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    IUPAC Name
    2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetamide
    SMILES
    C1C(CN(C1=O)CC(=O)N)O
    InChIKey
    IHLAQQPQKRMGSS-SCSAIBSYSA-N
    InChI
    1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10)/t4-/m1/s1
    Synonyms
    AKOS024256226 | (R)-Oxiracetam | Z1255379534 | R- oxiracetam | EN300-314234 | MS-22884 | SCHEMBL15789330 | (R)-2-(4-H...
  3. R-(+)-Warfarin-d5
    CAS: 773005-79-1 PubChem CID: 75125732 Formula: C19H11O4D5 Molecular Weight: 313.3
    ● In Stock — US Item #: R341323
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    IUPAC Name
    4-hydroxy-3-[(1R)-3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butyl]chromen-2-one
    SMILES
    CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
    InChIKey
    PJVWKTKQMONHTI-VLGPFOJQSA-N
    InChI
    1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m1/s1/i2D,3D,4D,7D,8D
    Synonyms
    4-Hydroxy-3-[(1R)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one-d5 | R-(+)- 3-(α-Acetonylbenzyl)-4-hydroxycoumarin-d5 |...
  4. (±)-CPSI 1306
    CAS: 1309793-47-2 Formula: C15H16F2N2O3 Molecular Weight: 310.3
    ● In Stock — US Item #: C286645
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    IUPAC Name
    2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
    SMILES
    C1COCCN1C(=O)CC2CC(=NO2)C3=C(C=C(C=C3)F)F
    InChIKey
    GUWOSEVHCSNYFK-UHFFFAOYSA-N
    InChI
    1S/C15H16F2N2O3/c16-10-1-2-12(13(17)7-10)14-8-11(22-18-14)9-15(20)19-3-5-21-6-4-19/h1-2,7,11H,3-6,8-9H2
    Synonyms
    2-[3-(3-(2,4-Difluorophenyl)-4,5-dihydro-5-isoxazolyl]-1-(4-morpholinyl)ethanone | (S)-2-(3-(2,4-difluorophenyl)-4,5-...
  5. R162
    CAS: 64302-87-0 PubChem CID: 4412951 Formula: C17H12O3 Molecular Weight: 264.28
    ● In Stock — US Item #: R304260
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    IUPAC Name
    1-hydroxy-2-prop-2-enylanthracene-9,10-dione
    SMILES
    C=CCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O
    InChIKey
    IMUBGIOLZQTIGI-UHFFFAOYSA-N
    InChI
    1S/C17H12O3/c1-2-5-10-8-9-13-14(15(10)18)17(20)12-7-4-3-6-11(12)16(13)19/h2-4,6-9,18H,1,5H2
    Synonyms
    1-Hydroxy-2-(2-propen-1-yl)-9,10-anthracenedione
  6. (±)-Decanoylcarnitine chloride
    CAS: 14919-36-9 Formula: C17H34NO4・Cl Molecular Weight: 351.91
    ● In Stock — US Item #: D353806
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    Technical Identifiers
    IUPAC Name
    (3-carboxy-2-decanoyloxypropyl)-trimethylazanium;chloride
    SMILES
    CCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
    InChIKey
    KETNUEKCBCWXCU-UHFFFAOYSA-N
    InChI
    1S/C17H33NO4.ClH/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4;/h15H,5-14H2,1-4H3;1H
  7. 1H-pyrazol-1-ylacetic acid
    CAS: 16034-48-3 Formula: C5H6N2O2 Molecular Weight: 126.12
    ● In Stock — US Item #: H332530
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    Technical Identifiers
    IUPAC Name
    2-pyrazol-1-ylacetic acid
    SMILES
    C1=CN(N=C1)CC(=O)O
    InChIKey
    LOSKNFQZTWYZHI-UHFFFAOYSA-N
    InChI
    1S/C5H6N2O2/c8-5(9)4-7-3-1-2-6-7/h1-3H,4H2,(H,8,9)
    Synonyms
    Pyrazol-1-yl-acetic acid | A883220 | 1H-Pyrazole-1-acetic acid | CL3510 | Z166653130 | LOSKNFQZTWYZHI-UHFFFAOYSA-N | ...
  8. (±)-Hexanoylcarnitine chloride
    CAS: 6920-35-0 EC Number: 636-206-8 Formula: C13H26ClNO4 Molecular Weight: 295.81
    Solid ≥98%(HPLC)
    ● In Stock — US Item #: H286609
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    Technical Identifiers
    IUPAC Name
    (3-carboxy-2-hexanoyloxypropyl)-trimethylazanium;chloride
    SMILES
    CCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
    InChIKey
    DTHGTKVOSRYXOK-UHFFFAOYSA-N
    InChI
    1S/C13H25NO4.ClH/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4;/h11H,5-10H2,1-4H3;1H
    Synonyms
    Hexanoyl-DL-carnitine chloride | Hexanoylcarnitine (chloride) | 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-((1-oxoh...
  9. Fenoterol solution
    CAS: 1944-12-3 EC Number: 217-742-8 Formula: C17H21NO4·HBr Molecular Weight: 384.26
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. 100 ng/ul in methanol
    ● In Stock — US Item #: F121751
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    IUPAC Name
    5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol;hydrobromide
    SMILES
    CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O.Br
    InChIKey
    SGZRQMALQBXAIQ-UHFFFAOYSA-N
    InChI
    1S/C17H21NO4.BrH/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13;/h2-5,7-9,11,17-22H,6,10H2,1H3;1H
    Synonyms
    EU-0100544 | F 1016 | FT-0668501 | REGID_for_CID_5702161 | Fenoterol hydrobromide (JAN) | EINECS 217-742-8 | Tox21_11...
  10. (±)-Palmitoylcarnitine chloride
    CAS: 6865-14-1 PubChem CID: 363417 Formula: C23H46NO4·Cl Molecular Weight: 436.07
    Solid ≥98%
    ● In Stock — US Item #: P274774
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    Technical Identifiers
    IUPAC Name
    (3-carboxy-2-hexadecanoyloxypropyl)-trimethylazanium;chloride
    SMILES
    CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
    InChIKey
    GAMKNLFIHBMGQT-UHFFFAOYSA-N
    InChI
    1S/C23H45NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4;/h21H,5-20H2,1-4H3;1H
    Synonyms
    HMS3262N18 | Q27277209 | EU-0100948 | NCGC00094252-01 | palmitoylcarnitine chloride | SMR000326758 | (3-carboxy-2-hex...
  11. (±)-Propionylcarnitine chloride
    CAS: 18828-58-5 PubChem CID: 13020033 Formula: C10H20CINO4 Molecular Weight: 253.73
    Solid ≥98%
    ● In Stock — US Item #: P342669
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    Technical Identifiers
    IUPAC Name
    (3-carboxy-2-propanoyloxypropyl)-trimethylazanium;chloride
    SMILES
    CCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
    InChIKey
    KTFMPDDJYRFWQE-UHFFFAOYSA-N
    InChI
    1S/C10H19NO4.ClH/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;/h8H,5-7H2,1-4H3;1H
    Synonyms
    Propionyl-DL-carnitine chloride
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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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