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. DL-AP3
    CAS: 5652-28-8 Formula: C3H8NO5P Molecular Weight: 169.07
    ● In Stock — US warehouse, ships to EU* Item #: D286664
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    Technical Identifiers
    IUPAC Name
    2-amino-3-phosphonopropanoic acid
    SMILES
    C(C(C(=O)O)N)P(=O)(O)O
    InChIKey
    LBTABPSJONFLPO-UHFFFAOYSA-N
    InChI
    1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
    Synonyms
    DL-2-Amino-3-phosphonopropionic acid (AP3) | NSC133887 | DTXSID40863590 | 2-Amino-3-phosphonopropionate | 2-AP3 | A 4...
  2. DL-AP4
    CAS: 6323-99-5 Formula: C4H10NO5P Molecular Weight: 183.1
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: D287137
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    IUPAC Name
    2-amino-4-phosphonobutanoic acid
    SMILES
    C(CP(=O)(O)O)C(C(=O)O)N
    InChIKey
    DDOQBQRIEWHWBT-UHFFFAOYSA-N
    InChI
    1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
    Synonyms
    NSC 30079 | NSC 354086 | 2 APB | 2-Amino-4-phosphonobutyric acid | 2-Amino-4-phosphono-butyric acid | BRN 5255932 | H...
  3. DL-Alanyl-L-alanine
    CAS: 59247-16-4 Formula: C6H12N2O3 Molecular Weight: 160.17
    ● In Stock — US warehouse, ships to EU* Item #: D351355
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    IUPAC Name
    (2S)-2-(2-aminopropanoylamino)propanoic acid
    SMILES
    CC(C(=O)NC(C)C(=O)O)N
    InChIKey
    DEFJQIDDEAULHB-BKLSDQPFSA-N
    InChI
    1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3?,4-/m0/s1
    Synonyms
    dl-Alanyl-l-alanine | AS-65000 | DTXSID50659845 | H-DL-Ala-Ala-OH | AKOS015854504 | (2S)-2-(2-Aminopropanamido)propan...
  4. DL-aspartic acid magnesium salt
    CAS: 7018-07-7 Formula: C8H12MgN2O8 · 4H2O Molecular Weight: 360.56
    ● In Stock — Germany Item #: D351328
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    IUPAC Name
    magnesium;(2S)-2-aminobutanedioate;tetrahydrate
    SMILES
    C(C(C(=O)[O-])N)C(=O)[O-].O.O.O.O.[Mg+2]
    InChIKey
    DFWMIGMDISTQBJ-PUAMRSTPSA-L
    InChI
    1S/C4H7NO4.Mg.4H2O/c5-2(4(8)9)1-3(6)7;;;;;/h2H,1,5H2,(H,6,7)(H,8,9);;4*1H2/q;+2;;;;/p-2/t2-;;;;;/m0...../s1
    Synonyms
    Magnesiumaspartat-trihydrat | magnesium;(2S)-2-aminobutanedioate;tetrahydrate | Magnesium aspartate tetrahydrate
  5. DL-Carbidopa (Carbidopa)
    CAS: 302-53-4 Formula: C10H14N2O4 Molecular Weight: 226.23
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    ◐ .Made to order · 8–12 wks Item #: D275777
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    IUPAC Name
    3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
    SMILES
    CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN
    InChIKey
    TZFNLOMSOLWIDK-UHFFFAOYSA-N
    InChI
    1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)
    Synonyms
    Benzenepropanoic acid, alpha-hydrazino-3,4-dihydroxy-alpha-methyl- | S-(-)-Carbidopa, >=98% (TLC), powder | Spectrum_...
  6. DL-Arginine monohydrochloride monohydrate
    CAS: 332360-01-7 PubChem CID: 2734011 Formula: C6H14N4O2・HCl・H2O Molecular Weight: 228.69
    ● In Stock — US warehouse, ships to EU* Item #: D351356
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    IUPAC Name
    2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrate;hydrochloride
    SMILES
    C(CC(C(=O)O)N)CN=C(N)N.O.Cl
    InChIKey
    NUFCANQNMWVENN-UHFFFAOYSA-N
    InChI
    1S/C6H14N4O2.ClH.H2O/c7-4(5(11)12)2-1-3-10-6(8)9;;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H;1H2
    Synonyms
    dl-arginine hydrochloride monohydrate | Dl-Arginine Hydrochloride Hydrate | 2-Amino-5-guanidinopentanoic acid hydroch...
  7. DL-Carnitine
    CAS: 461-06-3 Formula: C7H15NO3 Molecular Weight: 161.2
    ● In Stock — US warehouse, ships to EU* Item #: D413371
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    IUPAC Name
    3-hydroxy-4-(trimethylazaniumyl)butanoate
    SMILES
    C[N+](C)(C)CC(CC(=O)[O-])O
    InChIKey
    PHIQHXFUZVPYII-UHFFFAOYSA-N
    InChI
    1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
    Synonyms
    (±)-Carnitin1-​Propanaminium,3-​carboxy-​2-​hydroxy-​N,​N,​N-​trimethyl-​,inner salt | Carnitina | Carnitine
  8. DL-Carnitine
    CAS: 461-06-3 Formula: C7H15NO3 Molecular Weight: 161.2
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D424086
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    Technical Identifiers
    IUPAC Name
    3-hydroxy-4-(trimethylazaniumyl)butanoate
    SMILES
    C[N+](C)(C)CC(CC(=O)[O-])O
    InChIKey
    PHIQHXFUZVPYII-UHFFFAOYSA-N
    InChI
    1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
    Synonyms
    DL-Carnitine|Carnitine|406-76-8|L(-)-Carnitine|461-06-3|Carnitine DL-form|Carnitine [INN]|Carnitina|3-hydroxy-4-(trim...
  9. DL-Carnitine HCl
    CAS: 461-05-2 EC Number: 207-309-1 Formula: C7H16ClNO3 Molecular Weight: 197.66
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D408460
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    Technical Identifiers
    Synonyms
    3-​carboxy-​2-​hydroxy-​N,​N,​N-​trimethyl-​1-​propanaminium,chloride (1:1)
  10. DL-Goitrin, Agonist of TAS2R38
    CAS: 13190-34-6 EC Number: 236-145-3 Formula: C5H7NOS Molecular Weight: 129.18
    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 #: D421234
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    IUPAC Name
    5-ethenyl-1,3-oxazolidine-2-thione
    SMILES
    C=CC1CNC(=S)O1
    InChIKey
    UZQVYLOFLQICCT-UHFFFAOYSA-N
    InChI
    1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)
    Synonyms
    LS-13042 | 2-OXAZOLIDINETHIONE, 5-ETHENYL-, (5S)- | s3251 | SCHEMBL340219 | 2-OXAZOLIDINETHIONE, 5-VINYL- | 5-vinylox...
  11. DL-AP7
    CAS: 78966-69-5 Formula: C7H16NO5P Molecular Weight: 225.18
    ◐ .Made to order · 8–12 wks Item #: D335870
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    Technical Identifiers
    IUPAC Name
    2-amino-7-phosphonoheptanoic acid
    SMILES
    C(CCC(C(=O)O)N)CCP(=O)(O)O
    InChIKey
    MYDMWESTDPJANS-UHFFFAOYSA-N
    InChI
    1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)
    Synonyms
    D-200 | Tox21_500008 | (+/-)-2-Amino-7-phosphonoheptanoic acid | AKOS005066193 | MYDMWESTDPJANS-UHFFFAOYSA-N | PDSP2_...
  12. DL-Penicillamine
    CAS: 52-66-4 EC Number: 200-147-2 Formula: C5H11NO2S Molecular Weight: 149.21
    Liquid 10mM in Water
    ● In Stock — US warehouse, ships to EU* Item #: D424522
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    IUPAC Name
    2-amino-3-methyl-3-sulfanylbutanoic acid
    SMILES
    CC(C)(C(C(=O)O)N)S
    InChIKey
    VVNCNSJFMMFHPL-UHFFFAOYSA-N
    InChI
    1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)
    Synonyms
    (+-)-Penicillamine | CCG-40247 | CHEBI:50868 | 2-amino-3-methyl-3-sulfanylbutanoic acid | 2-amino-3-methyl-3-sulfanyl...
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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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