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. Oxyntomodulin TFA
    CAS: 62340-29-8(free base) Formula: C192H295N59O60S(free base) Molecular Weight: 4421.86(free base)
    ● In Stock — US warehouse, ships to EU* Item #: O287276
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    Synonyms
    Glucagon (1-37)(TFA) | Enteroglucagon(TFA)
  2. 2'-Deoxy-5-methylcytidine
    CAS: 838-07-3 EC Number: 212-655-1 Formula: C10H15N3O4 Molecular Weight: 241.24
    Solid ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: D122897
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    IUPAC Name
    4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
    SMILES
    CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O
    InChIKey
    LUCHPKXVUGJYGU-XLPZGREQSA-N
    InChI
    1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6-,7+,8+/m0/s1
    Synonyms
    AC-8204 | (7R,8S)-4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-th...
  3. Cimbuterol
    CAS: 54239-39-3 EC Number: 632-648-0 Formula: C13H19N3O Molecular Weight: 233.31
    Solid Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
    ◐ .Made to order · 8–12 wks Item #: C136659
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    IUPAC Name
    2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]benzonitrile
    SMILES
    CC(C)(C)NCC(C1=CC(=C(C=C1)N)C#N)O
    InChIKey
    YKKQAXQGZIBJFS-UHFFFAOYSA-N
    InChI
    1S/C13H19N3O/c1-13(2,3)16-8-12(17)9-4-5-11(15)10(6-9)7-14/h4-6,12,16-17H,8,15H2,1-3H3
    Synonyms
    SCHEMBL9706066 | DTXSID30388626 | FT-0665041 | 2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]benzonitrile | 2-Amino-5...
  4. 2,2'-Methylenedianiline
    CAS: 6582-52-1 Formula: C13H14N2 Molecular Weight: 198.26
    ● In Stock — US warehouse, ships to EU* Item #: M304304
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    IUPAC Name
    2-[(2-aminophenyl)methyl]aniline
    SMILES
    C1=CC=C(C(=C1)CC2=CC=CC=C2N)N
    InChIKey
    OHKOAJUTRVTYSW-UHFFFAOYSA-N
    InChI
    1S/C13H14N2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9,14-15H2
    Synonyms
    2,2 inverted exclamation mark methylenedianiline | EINECS 229-512-4 | DS-19352 | MFCD01109641 | 2,2'methylenedianilin...
  5. 2,5-Dimethylcinnamic acid
    CAS: 95883-10-6 EC Number: 677-487-7 Formula: C11H12O2 Molecular Weight: 176.21
    ● In Stock — US warehouse, ships to EU* Item #: D305033
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    IUPAC Name
    (E)-3-(2,5-dimethylphenyl)prop-2-enoic acid
    SMILES
    CC1=CC(=C(C=C1)C)C=CC(=O)O
    InChIKey
    FAIBVLSPNAHVSQ-AATRIKPKSA-N
    InChI
    1S/C11H12O2/c1-8-3-4-9(2)10(7-8)5-6-11(12)13/h3-7H,1-2H3,(H,12,13)/b6-5+
    Synonyms
    2,5-DIMETHYLCINNAMICACID | (E)-3-(2,5-DIMETHYLPHENYL)ACRYLIC ACID | 2,5-Dimethylcinnamic acid | 3-(2,5-Dimethylphenyl...
  6. 2-(2-Isopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    CAS: 852110-33-9 Formula: C15H23BO2 Molecular Weight: 246.153
    ● In Stock — US warehouse, ships to EU* Item #: I304772
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    IUPAC Name
    4,4,5,5-tetramethyl-2-(2-propan-2-ylphenyl)-1,3,2-dioxaborolane
    SMILES
    B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(C)C
    InChIKey
    HKCNIDDNQNFPLW-UHFFFAOYSA-N
    InChI
    1S/C15H23BO2/c1-11(2)12-9-7-8-10-13(12)16-17-14(3,4)15(5,6)18-16/h7-11H,1-6H3
    Synonyms
    AB62226 | HKCNIDDNQNFPLW-UHFFFAOYSA-N | EN300-1425712 | AS-75904 | 2-Isopropylphenyboronic acid pinacol ester | D9581...
  7. (9H-Fluoren-9-yl)methyl (2-aminoethyl)carbamate hydrochloride
    CAS: 391624-46-7 Formula: C17H19ClN2O2 Molecular Weight: 318.8
    ◐ .Made to order · 8–12 wks Item #: H303628
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    IUPAC Name
    9H-fluoren-9-ylmethyl N-(2-aminoethyl)carbamate;hydrochloride
    SMILES
    C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCN.Cl
    InChIKey
    UURYASDYOGIDRX-UHFFFAOYSA-N
    InChI
    1S/C17H18N2O2.ClH/c18-9-10-19-17(20)21-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;/h1-8,16H,9-11,18H2,(H,19,20);1H
    Synonyms
    Fmoc-EDA.HCl | N-1-Fmoc-1,2-diaminoethane . HCl | N-Fmoc-ethylenediamine hydrochloride | UURYASDYOGIDRX-UHFFFAOYSA-N ...
  8. Hydroxymethyl Dasatinib
    CAS: 910297-58-4 Formula: C22H26ClN7O3S Molecular Weight: 504.00
    ● In Stock — US warehouse, ships to EU* Item #: H344766
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    IUPAC Name
    N-[2-chloro-6-(hydroxymethyl)phenyl]-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
    SMILES
    CC1=NC(=CC(=N1)N2CCN(CC2)CCO)NC3=NC=C(S3)C(=O)NC4=C(C=CC=C4Cl)CO
    InChIKey
    KZNOWBHQESWSTD-UHFFFAOYSA-N
    InChI
    1S/C22H26ClN7O3S/c1-14-25-18(11-19(26-14)30-7-5-29(6-8-30)9-10-31)27-22-24-12-17(34-22)21(33)28-20-15(13-32)3-2-4-16(20)23/h2-4,11-12,31-32H,5-10,13H2show more
    Synonyms
    5-Thiazolecarboxamide, N-(2-chloro-6-(hydroxymethyl)phenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrim...
  9. (R)-2-Aminopent-4-ynoic acid hydrochloride
    CAS: 87205-47-8 Formula: C5H8ClNO2 Molecular Weight: 149.58
    ● In Stock — US warehouse, ships to EU* Item #: R304808
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    IUPAC Name
    (2R)-2-aminopent-4-ynoic acid;hydrochloride
    SMILES
    C#CCC(C(=O)O)N.Cl
    InChIKey
    UAMBUICGODABQY-PGMHMLKASA-N
    InChI
    1S/C5H7NO2.ClH/c1-2-3-4(6)5(7)8;/h1,4H,3,6H2,(H,7,8);1H/t4-;/m1./s1
  10. Ginsenoside Rb3
    CAS: 68406-26-8 Formula: C53H90O22 Molecular Weight: 1079.27
    Solid 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. ≥98%
    ◐ .Made to order · 8–12 wks Item #: G115728
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    (3β,12β)-3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-20-yl 6-O-β-D-xylopyranosyl-β-D-gl...
  11. Nickel selenide
    CAS: 1314-05-2 EC Number: 215-216-2 PubChem CID: 62394 Formula: NiSe Molecular Weight: 137.67
    ● In Stock — US warehouse, ships to EU* Item #: N302360
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    IUPAC Name
    selanylidenenickel
    SMILES
    [Ni]=[Se]
    InChIKey
    QHASIAZYSXZCGO-UHFFFAOYSA-N
    InChI
    1S/Ni.Se
    Synonyms
    Nickel selenide | selanylidenenickel | KB76MY8R90 | Nickel selenide (NiSe) (6CI,7CI,8CI,9CI) | CCRIS 7581 | NSC378342...
  12. 1-(2,5-difluorophenyl)cyclopropan-1-amine hydrochloride
    CAS: 1269397-45-6 Formula: C9H10ClF2N Molecular Weight: 205.63
    ◐ .Made to order · 8–12 wks Item #: D302319
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    IUPAC Name
    1-(2,5-difluorophenyl)cyclopropan-1-amine;hydrochloride
    SMILES
    C1CC1(C2=C(C=CC(=C2)F)F)N.Cl
    InChIKey
    MTWFPMFGBBLPNM-UHFFFAOYSA-N
    InChI
    1S/C9H9F2N.ClH/c10-6-1-2-8(11)7(5-6)9(12)3-4-9;/h1-2,5H,3-4,12H2;1H
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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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