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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137,059 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 (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. (R)-Sulforaphane
    CAS: 142825-10-3 Formula: C6H11NOS2 Molecular Weight: 177.29
    Liquid 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 #: R131741
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    IUPAC Name
    1-isothiocyanato-4-[(R)-methylsulfinyl]butane
    SMILES
    CS(=O)CCCCN=C=S
    InChIKey
    SUVMJBTUFCVSAD-SNVBAGLBSA-N
    InChI
    1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m1/s1
    Synonyms
    HY-13755A | 1-isothiocyanato-4-[(R)-methanesulfinyl]butane | 1-Propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:...
  2. PMX 205 (TFA)
    CAS: 514814-49-4(free base) EC Number: 851-045-5 Formula: C47H63F3N10O8 Molecular Weight: 953.06
    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 #: P288563
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  3. UV Absorber 1130
    CAS: 104810-47-1 EC Number: 600-602-9 Formula: C19H21N3O3.(C2H4O)n=6-7 Molecular Weight: 637 (monomer), 975 (dimer)
    Liquid ≥84%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: H302134
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    [3-[3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-w-[3-[3-(2Hbenzotriazol-2-yl)-5-(1,1...
  4. Odorine
    CAS: 72755-20-5 PubChem CID: 23242585 Formula: C18H24N2O2 Molecular Weight: 300.4
    ◐ .Made to order · 8–12 wks Item #: O329284
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    IUPAC Name
    (2S)-2-methyl-N-[(2R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanamide
    SMILES
    CCC(C)C(=O)NC1CCCN1C(=O)C=CC2=CC=CC=C2
    InChIKey
    KZAOEMMZRGEBST-IXVOVUJJSA-N
    InChI
    1S/C18H24N2O2/c1-3-14(2)18(22)19-16-10-7-13-20(16)17(21)12-11-15-8-5-4-6-9-15/h4-6,8-9,11-12,14,16H,3,7,10,13H2,1-2H3,(H,19,22)/b12-11+/t14-,16+/m0/s1
    Synonyms
    SMR001397074 | DTXSID001127316 | HMS2198I12 | MLS002472967 | (2S)-2-Methyl-N-[(2R)-1-[(2E)-1-oxo-3-phenyl-2-propen-1-...
  5. Quercetin 7-O-β-D-Glucuronide
    CAS: 38934-20-2 PubChem CID: 11641481 Formula: C21H18O13 Molecular Weight: 478.36
    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 #: Q346716
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    IUPAC Name
    (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    SMILES
    C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O)O
    InChIKey
    JXWGCVLNCGCZRU-JENRNSKYSA-N
    InChI
    1S/C21H18O13/c22-8-2-1-6(3-9(8)23)18-15(27)13(25)12-10(24)4-7(5-11(12)33-18)32-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(Hshow more
    Synonyms
    A-D-Glucuronide | (2S,3S,4S,5R,6S)-6-((2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl)oxy)-3,4,5-trihydr...
  6. Ibrolipim
    CAS: 133208-93-2 Formula: C19H20BrN2O4P Molecular Weight: 451.25
    ● In Stock — US warehouse, ships to EU* Item #: L339156
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    IUPAC Name
    N-(4-bromo-2-cyanophenyl)-4-(diethoxyphosphorylmethyl)benzamide
    SMILES
    CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C#N)OCC
    InChIKey
    KPRTURMJVWXURQ-UHFFFAOYSA-N
    InChI
    1S/C19H20BrN2O4P/c1-3-25-27(24,26-4-2)13-14-5-7-15(8-6-14)19(23)22-18-10-9-17(20)11-16(18)12-21/h5-11H,3-4,13H2,1-2H3,(H,22,23)
    Synonyms
    DMAA (Antiparkinson Agent) | Ibrolipim [USAN] | J-006332 | Lipoprotein Lipase Activator | N-(4-bromo-2-cyanophenyl)-4...
  7. Mebeverine Acid
    CAS: 475203-77-1 PubChem CID: 20556914 Formula: C16H25NO3 Molecular Weight: 279.37
    ● In Stock — US warehouse, ships to EU* Item #: M343905
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    IUPAC Name
    4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid
    SMILES
    CCN(CCCC(=O)O)C(C)CC1=CC=C(C=C1)OC
    InChIKey
    UZUWRVLVHOYTNN-UHFFFAOYSA-N
    InChI
    1S/C16H25NO3/c1-4-17(11-5-6-16(18)19)13(2)12-14-7-9-15(20-3)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)
    Synonyms
    F85154 | DTXSID70608658 | 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid | MS-23966 | AKOS025437284 | M...
  8. (2R/S)-6-PNG
    CAS: 68682-01-9 EC Number: 106-464-1 PubChem CID: 3519901 Formula: C20H20O5 Molecular Weight: 340.37
    ◐ .Made to order · 8–12 wks Item #: R286947
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    IUPAC Name
    5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
    SMILES
    CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O)C
    InChIKey
    YHWNASRGLKJRJJ-UHFFFAOYSA-N
    InChI
    1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3
    Synonyms
    cid_3519901 | ACon1_000068 | HMS2271K08 | MS-25192 | SCHEMBL145713 | (S)-4',5,7-Trihydroxy-6-prenylflavanone | 6PNG |...
  9. UNC2371(MRX-2843)
    CAS: 1429882-07-4 PubChem CID: 89495685 Formula: C29H40N6O Molecular Weight: 488.67
    ◐ .Made to order · 8–12 wks Item #: U174179
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    IUPAC Name
    4-[2-(2-cyclopropylethylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
    SMILES
    CN1CCN(CC1)CC2=CC=C(C=C2)C3=CN(C4=NC(=NC=C34)NCCC5CC5)C6CCC(CC6)O
    InChIKey
    LBEJYFVJIPQSNX-UHFFFAOYSA-N
    InChI
    1S/C29H40N6O/c1-33-14-16-34(17-15-33)19-22-4-6-23(7-5-22)27-20-35(24-8-10-25(36)11-9-24)28-26(27)18-31-29(32-28)30-13-12-21-2-3-21/h4-7,18,20-21,24-25show more
    Synonyms
    s6839 | Cyclohexanol, 4-(2-((2-cyclopropylethyl)amino)-5-(4-((4-methyl-1-piperazinyl)methyl)phenyl)-7H-pyrrolo(2,3-d)...
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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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