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. MAC13243
    CAS: 1071638-38-4 Formula: C20H25Cl2N3O2S Molecular Weight: 442.40
    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 Item #: M126408
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    Technical Identifiers
    IUPAC Name
    6-[(4-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;hydrochloride
    SMILES
    COC1=C(C=C(C=C1)CCN2CNC(=NC2)SCC3=CC=C(C=C3)Cl)OC.Cl
    InChIKey
    VCJIDISBDZWDOJ-UHFFFAOYSA-N
    InChI
    1S/C20H24ClN3O2S.ClH/c1-25-18-8-5-15(11-19(18)26-2)9-10-24-13-22-20(23-14-24)27-12-16-3-6-17(21)7-4-16;/h3-8,11H,9-10,12-14H2,1-2H3,(H,22,23);1H
    Synonyms
    F84905 | AKOS030526236 | HY-14456A | 1071638-38-4 | CID 2806781 | MAC13243 | DTXSID20384516 | 6-[(4-chlorophenyl)meth...
  2. Magnesium sulfide
    CAS: 12032-36-9 EC Number: 234-771-1 Formula: MgS Molecular Weight: 56.37
    PrimorTrace™ ? PrimorTrace™ — Aladdin's trace-metal-analysis line with ultra-low metal background. Use for ICP/AAS trace-metal work where contamination must be minimal. ≥99.99% metals basis
    ● In Stock — US Item #: M302595
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    Technical Identifiers
    IUPAC Name
    sulfanylidenemagnesium
    SMILES
    [Mg]=S
    InChIKey
    SMDQFHZIWNYSMR-UHFFFAOYSA-N
    InChI
    1S/Mg.S
    Synonyms
    DTXSID2065179 | sulfanylidenemagnesium | EINECS 234-771-1 | UNII-TWD834A2KD | Magnesium sulphide | Magnesium Boride (...
  3. Danofloxacin mesylate
    CAS: 119478-55-6 EC Number: 638-813-3 PubChem CID: 71334 Formula: C20H24FN3O6S Molecular Weight: 453.48
    Solid ≥98%
    ● In Stock — US Item #: D141098
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    Technical Identifiers
    IUPAC Name
    1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
    SMILES
    CN1CC2CC1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F.CS(=O)(=O)O
    InChIKey
    APFDJSVKQNSTKF-FXMYHANSSA-N
    InChI
    1S/C19H20FN3O3.CH4O3S/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10;1-5(2,3)4/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26show more
    Synonyms
    AS-75249 | cp 76136-27 | Danofloxacin mesilate hydrate | DTXSID30922988 | R1308VH37P | UNII-94F3SX3LEM | Danofloxacin...
  4. Sodium Tanshinone IIA
    CAS: 69659-80-9 Formula: C19H17O6S · Na Molecular Weight: 396.39
    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%
    ● In Stock — US Item #: S107694
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    IUPAC Name
    sodium;1,6,6-trimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-2-sulfonate
    SMILES
    CC1=C(OC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C)S(=O)(=O)[O-].[Na+]
    InChIKey
    AZEZEAABTDXEHR-UHFFFAOYSA-M
    InChI
    1S/C19H18O6S.Na/c1-9-13-15(20)16(21)14-10-5-4-8-19(2,3)12(10)7-6-11(14)17(13)25-18(9)26(22,23)24;/h6-7H,4-5,8H2,1-3H3,(H,22,23,24);/q;+1/p-1
    Synonyms
    Danshen-201 | Sodium tanshinone II A sulfonate | TanshinoneIIA | SULFOTANSHINONE SODIUM II-A | DTXSID00219953 | TANSH...
  5. Methyl 2-hydroxy-6-methylbenzoate
    CAS: 33528-09-5 EC Number: 842-635-3 Formula: C9H10O3 Molecular Weight: 166.17
    ● In Stock — US Item #: M303466
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    Technical Identifiers
    IUPAC Name
    methyl 2-hydroxy-6-methylbenzoate
    SMILES
    CC1=C(C(=CC=C1)O)C(=O)OC
    InChIKey
    GPNCYIZKJTXKRO-UHFFFAOYSA-N
    InChI
    1S/C9H10O3/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5,10H,1-2H3
    Synonyms
    Benzoic acid, 2-hydroxy-6-methyl-, methyl ester | C74722 | DS-15238 | UNII-7I0LI71IJ1 | Methyl 2-hydroxy-6-methylbenz...
  6. Prostaglandin A1
    CAS: 14152-28-4 EC Number: 682-017-9 Formula: C20H32O4 Molecular Weight: 336.47
    ● In Stock — US Item #: P276150
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    Technical Identifiers
    IUPAC Name
    7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid
    SMILES
    CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O
    InChIKey
    BGKHCLZFGPIKKU-LDDQNKHRSA-N
    InChI
    1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1
    Synonyms
    15-hydroxy-9-oxoprosta-10,13-dienoate | ALPROSTADIL IMPURITY A [EP IMPURITY] | 15a-Hydroxy-9-oxo-10,13E-prostadienoic...
  7. DL-[1-2H]glyceraldehyde
    CAS: 72599-69-0 Formula: C3H5DO3 Molecular Weight: 91.08
    ◐ .Made to order · 8–12 wks Item #: D351604
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    Technical Identifiers
    IUPAC Name
    1-deuterio-2,3-dihydroxypropan-1-one
    SMILES
    C(C(C=O)O)O
    InChIKey
    MNQZXJOMYWMBOU-MICDWDOJSA-N
    InChI
    1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/i1D
  8. Policresulen
    CAS: 101418-00-2 EC Number: 851-514-4 PubChem CID: 3050404 Formula: (C8H10O5S)n
    Liquid 50% aqueous solution
    ● In Stock — US Item #: P302076
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    IUPAC Name
    2-hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid
    SMILES
    CC1=CC(=C(C=C1CC2=CC(=C(C(=C2C)CC3=CC(=C(C=C3C)O)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)O
    InChIKey
    ACZKMKGNTMOPBD-UHFFFAOYSA-N
    InChI
    1S/C23H24O12S3/c1-11-4-18(24)20(36(27,28)29)8-14(11)6-16-10-22(38(33,34)35)23(26)17(13(16)3)7-15-9-21(37(30,31)32)19(25)5-12(15)2/h4-5,8-10,24-26H,6-7show more
    Synonyms
    5,5'-(4-hydroxy-2-methyl-5-sulfo-1,3-phenylene)bis(methylene)bis(2-hydroxy-4-methylbenzenesulfonic acid) | BCP22334 |...
  9. Poloxin
    CAS: 321688-88-4 EC Number: 803-562-2 Formula: C18H19NO3 Molecular Weight: 297.35
    Solid ≥99%
    ◐ .Made to order · 8–12 wks Item #: P126719
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    Technical Identifiers
    IUPAC Name
    [(Z)-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 2-methylbenzoate
    SMILES
    CC1=CC=CC=C1C(=O)ON=C2C=C(C(=O)C=C2C)C(C)C
    InChIKey
    CMOJHDQJJPIVEC-MNDPQUGUSA-N
    InChI
    1S/C18H19NO3/c1-11(2)15-10-16(13(4)9-17(15)20)19-22-18(21)14-8-6-5-7-12(14)3/h5-11H,1-4H3/b19-16-
    Synonyms
    2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-(2-methylbenzoyl)oxime] | DTXSID30430634 | 2-Isopropyl-5...
  10. Prostaglandin A3
    CAS: 36614-31-0 PubChem CID: 5283112 Formula: C20H28O4 Molecular Weight: 332.43
    Liquid ≥98% 100 ug/mL in methyl acetate
    ◐ .Made to order · 8–12 wks Item #: P355727
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    Technical Identifiers
    IUPAC Name
    (Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
    SMILES
    CCC=CCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O
    InChIKey
    KSIRMUMXJFWKAC-FHJHOUOTSA-N
    InChI
    1S/C20H28O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h3-4,6-7,12-18,21H,2,5,8-11H2,1H3,(H,23,24)/b6-3-,7-4-,14-12+/t16-,17-,show more
    Synonyms
    9-oxo-15S-hydroxy-prosta-5Z,10,13E,17Z-tetraen-1-oic acid | PGA3
  11. Sodium taurocholate
    CAS: 145-42-6 EC Number: 205-653-7 Formula: C26H44NNaO7S Molecular Weight: 537.68
    Solid ≥95%
    ● In Stock — US Item #: S100834
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    Technical Identifiers
    IUPAC Name
    sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentshow more
    SMILES
    CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
    InChIKey
    JAJWGJBVLPIOOH-IZYKLYLVSA-M
    InChI
    1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2show more
    Synonyms
    Monosodium N-choloyltaurinate | UNII-M6N3TH81NO | Taurocholic acid sodium salt | Taurocholate sodium | EINECS 205-653...
  12. Potassium methacrylate
    CAS: 6900-35-2 PubChem CID: 23667354 Formula: C4H5KO2 Molecular Weight: 124.18
    ● In Stock — US Item #: P304402
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    Technical Identifiers
    IUPAC Name
    potassium;2-methylprop-2-enoate
    SMILES
    CC(=C)C(=O)[O-].[K+]
    InChIKey
    LLLCSBYSPJHDJX-UHFFFAOYSA-M
    InChI
    1S/C4H6O2.K/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1
    Synonyms
    Potassium methacrylate|6900-35-2|2-Propenoic acid, 2-methyl-, potassium salt|potassium;2-methylprop-2-enoate|potassiu...
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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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