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

2,812

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. O-6-Benzylguanine
    CAS: 19916-73-5 EC Number: 633-744-5 Formula: C12H11N5O Molecular Weight: 241.25
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: B101579
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    Technical Identifiers
    IUPAC Name
    6-phenylmethoxy-7H-purin-2-amine
    SMILES
    C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N
    InChIKey
    KRWMERLEINMZFT-UHFFFAOYSA-N
    InChI
    1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
    Synonyms
    UNII-01KC87F8FE | 6-BENZYLGUANINE | AC-1076 | GLXC-25126 | NSC 637037 | Purine, 2-amino-6-(benzyloxy)- (, ) | DTXSID2...
  2. SIB 1508Y maleate
    CAS: 192231-16-6 PubChem CID: 11954277 Formula: C12H14N2.C4H4O4 Molecular Weight: 302.33
    ● In Stock — US warehouse, ships to EU* Item #: S287925
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    IUPAC Name
    (Z)-but-2-enedioic acid;3-ethynyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
    SMILES
    CN1CCCC1C2=CN=CC(=C2)C#C.C(=CC(=O)O)C(=O)O
    InChIKey
    BCPPKHPWLRPWBJ-OURKGEEVSA-N
    InChI
    1S/C12H14N2.C4H4O4/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2;5-3(6)1-2-4(7)8/h1,7-9,12H,4-6H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t12-;/m0./s1
    Synonyms
    D02839 | (Z)-but-2-enedioate;3-ethynyl-5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium | Altinicline maleate (USA...
  3. SB 242084 hydrochloride
    CAS: 1260505-34-7 PubChem CID: 72201049 Formula: C21H20Cl2N4O2 Molecular Weight: 431.32
    ◐ .Made to order · 8–12 wks Item #: S274775
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    IUPAC Name
    6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide;hydrochloride
    SMILES
    CC1=CC2=C(C=C1Cl)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C.Cl
    InChIKey
    WOKOGXKQXNESDA-UHFFFAOYSA-N
    InChI
    1S/C21H19ClN4O2.ClH/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2;/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27);1H
    Synonyms
    6-Chloro-2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-1-carboxamidehydrochloride
  4. NF 449
    CAS: 627034-85-9 PubChem CID: 6093161 Formula: C41H24N6Na8O29S8 Molecular Weight: 1505.06
    ◐ .Made to order · 8–12 wks Item #: N286851
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    IUPAC Name
    octasodium;4-[[3-[[3,5-bis[(2,4-disulfonatophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2,4-disulfonatophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulshow more
    SMILES
    C1=CC(=C(C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C2=CC(=CC(=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)NC4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)NC5=C(C=C(C=C5)show more
    InChIKey
    KCBZSNWCUJBMHF-UHFFFAOYSA-F
    InChI
    1S/C41H32N6O29S8.8Na/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-4show more
    Synonyms
    4,4',4'',4'''-[Carbonylbis(imino-5,1,3-benzenetriyl-bis(carbonylimino))]tetrakis-1,3-benzenedisulfonic acid, octasodi...
  5. SDZ 21009
    CAS: 39731-05-0 PubChem CID: 193949 Formula: C19H28N2O4 Molecular Weight: 348.44
    ◐ .Made to order · 8–12 wks Item #: S288286
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    IUPAC Name
    propan-2-yl 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carboxylate
    SMILES
    CC(C)OC(=O)C1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O
    InChIKey
    SJYFDORQYYEJLB-UHFFFAOYSA-N
    InChI
    1S/C19H28N2O4/c1-12(2)25-18(23)16-9-14-15(21-16)7-6-8-17(14)24-11-13(22)10-20-19(3,4)5/h6-9,12-13,20-22H,10-11H2,1-5H3
    Synonyms
    SR-01000597604 | ISOPROPYL (+/-)-4-(3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY)INDOLE-2-CARBOXYLATE | 4-[3-[(1,1-DIMETHYLET...
  6. 5-Bromo-3-indoxyl nonanoate
    CAS: 133950-70-6 Formula: C17H22BrNO2 Molecular Weight: 352.272
    ● In Stock — US warehouse, ships to EU* Item #: B350897
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    IUPAC Name
    (5-bromo-1H-indol-3-yl) nonanoate
    SMILES
    CCCCCCCCC(=O)OC1=CNC2=C1C=C(C=C2)Br
    InChIKey
    KWRFASVVDCCIEJ-UHFFFAOYSA-N
    InChI
    1S/C17H22BrNO2/c1-2-3-4-5-6-7-8-17(20)21-16-12-19-15-10-9-13(18)11-14(15)16/h9-12,19H,2-8H2,1H3
    Synonyms
    SCHEMBL5071939 | Nonanoic acid,5-bromo-1H-indol-3-yl ester | 5-Bromo-3-indolyl nonanoate | AKOS015914538 | DTXSID8043...
  7. Boc-3-styryl-D-alanine dicyclohexylamine salt
    CAS: 261380-19-2 PubChem CID: 16211160 Formula: C₁₆H₂₁NO₄·C₁₂H₂₃N Molecular Weight: 472.66
    ● In Stock — US warehouse, ships to EU* Item #: B355887
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    Technical Identifiers
    SMILES
    CC(C)(C)OC(=O)N[C@H](C/C=C/C1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2
  8. O-Tricyclo[5.2.1.02,6]dec-9-yl dithiocarbonate potassium salt
    CAS: 83373-60-8 EC Number: 280-379-9 Formula: C11H15KOS2 Molecular Weight: 266.46
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: D127393
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    IUPAC Name
    potassium;8-tricyclo[5.2.1.02,6]decanyloxymethanedithioate
    SMILES
    C1CC2C(C1)C3CC2CC3OC(=S)[S-].[K+]
    InChIKey
    IGULCCCBGBDZKQ-UHFFFAOYSA-M
    InChI
    1S/C11H16OS2.K/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-10H,1-5H2,(H,13,14);/q;+1/p-1
    Synonyms
    EU-0101242 | LP01242 | D-609 potassium | HMS3676B07 | NCGC00094483-01 | (Tricyclo[5.2.1.0~2,6~]Dec-8-Yloxy)Carbonothi...
  9. SKF 77434 hydrobromide
    CAS: 300561-58-4 PubChem CID: 11957703 Formula: C19H21NO2•HBr Molecular Weight: 376.29
    ◐ .Made to order · 8–12 wks Item #: S287583
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    IUPAC Name
    5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol;hydrobromide
    SMILES
    C=CCN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O.Br
    InChIKey
    JWQRAXTWDYUBFI-UHFFFAOYSA-N
    InChI
    1S/C19H21NO2.BrH/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14;/h2-7,11-12,17,21-22H,1,8-10,13H2;1H
    Synonyms
    SMR001230751 | SKF77434 (hydrobromide) | UNII-1C4570NI42 | SR-01000075405-1 | SKF-77434 hydrobromide | (?)-SKF 38393,...
  10. SKF 83566 hydrobromide
    CAS: 108179-91-5 EC Number: 846-347-9 PubChem CID: 23581817 Formula: C17H18BrNO.HBr Molecular Weight: 413.15
    ● In Stock — US warehouse, ships to EU* Item #: S275802
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    Technical Identifiers
    IUPAC Name
    8-bromo-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrobromide
    SMILES
    CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)Br.Br
    InChIKey
    SDQJYYGODYRPBR-UHFFFAOYSA-N
    InChI
    1S/C17H18BrNO.BrH/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12;/h2-6,9-10,15,20H,7-8,11H2,1H3;1H
    Synonyms
    MLS000758232 | DTXSID6042606 | AMY38997 | CCG-100754 | CPD000449276 | MLS001423981 | 8-Bromo-3-methyl-5-phenyl-2,3,4,...
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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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