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 —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. Brimonidine Tartrate
    CAS: 70359-46-5 EC Number: 629-848-5 Formula: C15H16BrN5O6 Molecular Weight: 442.23
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: B129493
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    Technical Identifiers
    IUPAC Name
    5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2R,3R)-2,3-dihydroxybutanedioic acid
    SMILES
    C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br.C(C(C(=O)O)O)(C(=O)O)O
    InChIKey
    QZHBYNSSDLTCRG-LREBCSMRSA-N
    InChI
    1S/C11H10BrN5.C4H6O6/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;5-1(3(7)8)2(6)4(9)10/h1-4H,5-6H2,(H2,15,16,17);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-show more
    Synonyms
    5-Bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine (2R,3R)-2,3-dihydroxysuccinate | 5-Bromo-N-(4,5-dihydro-1H...
  2. Brilanestrant (GDC-0810), Estrogen receptor alpha antagonist
    CAS: 1365888-06-7 Formula: C26H20ClFN2O2 Molecular Weight: 446.9
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: B413858
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    IUPAC Name
    (E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
    SMILES
    CCC(=C(C1=CC=C(C=C1)C=CC(=O)O)C2=CC3=C(C=C2)NN=C3)C4=C(C=C(C=C4)F)Cl
    InChIKey
    BURHGPHDEVGCEZ-KJGLQBJMSA-N
    InChI
    1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)show more
    Synonyms
    BCP24812 | Q27272746 | 1.1'carbonyldiimidazole | CCG-269201 | (E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol...
  3. Brinzolamide-d5
    CAS: 1217651-02-9 Formula: C12H16D5N3O5S3 Molecular Weight: 388.54
    ◐ .Made to order · 8–12 wks Item #: B336436
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    IUPAC Name
    (4R)-2-(3-methoxypropyl)-1,1-dioxo-4-(1,1,2,2,2-pentadeuterioethylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
    SMILES
    CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC
    InChIKey
    HCRKCZRJWPKOAR-RQTACTIOSA-N
    InChI
    1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1/i1D3,3D2
    Synonyms
    (4R)-(Ethylamino-d5)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide | AL-468...
  4. Bromantane
    CAS: 87913-26-6 Formula: C16H20BrN Molecular Weight: 306.24
    ● In Stock — US warehouse, ships to EU* Item #: B355166
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    IUPAC Name
    N-(4-bromophenyl)adamantan-2-amine
    SMILES
    C1C2CC3CC1CC(C2)C3NC4=CC=C(C=C4)Br
    InChIKey
    LWJALJDRFBXHKX-UHFFFAOYSA-N
    InChI
    1S/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2
    Synonyms
    UNII-N1ILS53XWK | AS-54469 | Tricyclo(3.3.1.13,7)decan-2-amine, N-(4-bromophenyl)- | Ladasten | bromontan | Tricyclo[...
  5. Bromo-PEG1-C2-Boc
    CAS: 1393330-36-3 Formula: C9H17BrO3 Molecular Weight: 253.13
    ● In Stock — US warehouse, ships to EU* Item #: B412746
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    Technical Identifiers
    IUPAC Name
    tert-butyl 3-(2-bromoethoxy)propanoate
    SMILES
    CC(C)(C)OC(=O)CCOCCBr
    InChIKey
    KRGOEVTUVNSLIG-UHFFFAOYSA-N
    InChI
    1S/C9H17BrO3/c1-9(2,3)13-8(11)4-6-12-7-5-10/h4-7H2,1-3H3
    Synonyms
    A937222 | SCHEMBL15095951 | Bromo-PEG1-tert-butyl Ester | BP-20900 | BS-30813 | tert-butyl 3-(2-bromoethoxy)propanoat...
  6. Bromo-PEG1-CH2-Boc
    CAS: 157759-50-7 Formula: C8H15BrO3 Molecular Weight: 239.11
    ◐ .Made to order · 8–12 wks Item #: B412735
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    Technical Identifiers
    IUPAC Name
    tert-butyl 2-(2-bromoethoxy)acetate
    SMILES
    CC(C)(C)OC(=O)COCCBr
    InChIKey
    MXCPNUHKYMLSRV-UHFFFAOYSA-N
    InChI
    1S/C8H15BrO3/c1-8(2,3)12-7(10)6-11-5-4-9/h4-6H2,1-3H3
    Synonyms
    AS-83488 | SY273133 | MFCD28122952 | HY-141370 | AKOS040741457 | TERT-BUTYL2-(2-BROMOETHOXY)ACETATE | Bromo-PEG1-CH2C...
  7. Bromo-PEG2-C2-Boc
    CAS: 1381861-91-1 Formula: C11H21BrO4 Molecular Weight: 297.19
    ● In Stock — US warehouse, ships to EU* Item #: B412747
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    Technical Identifiers
    IUPAC Name
    tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate
    SMILES
    CC(C)(C)OC(=O)CCOCCOCCBr
    InChIKey
    UOYAYHGUAATLSG-UHFFFAOYSA-N
    InChI
    1S/C11H21BrO4/c1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12/h4-9H2,1-3H3
  8. Bromo-PEG3-CH2-Boc
    CAS: 2100306-71-4 Formula: C12H23BrO5 Molecular Weight: 327.21
    ◐ .Made to order · 8–12 wks Item #: B412721
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    Technical Identifiers
    IUPAC Name
    tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
    SMILES
    CC(C)(C)OC(=O)COCCOCCOCCBr
    InChIKey
    WDLOTPAWUBQPND-UHFFFAOYSA-N
    InChI
    1S/C12H23BrO5/c1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13/h4-10H2,1-3H3
  9. 1-Bromo-2-methylpropan-2-ol
    CAS: 38254-49-8 EC Number: 815-409-7 Formula: C4H9BrO Molecular Weight: 153.02
    Liquid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: B355149
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    Technical Identifiers
    IUPAC Name
    1-bromo-2-methylpropan-2-ol
    SMILES
    CC(C)(CBr)O
    InChIKey
    OBOTXOMQYNJWJJ-UHFFFAOYSA-N
    InChI
    1S/C4H9BrO/c1-4(2,6)3-5/h6H,3H2,1-2H3
    Synonyms
    1-Bromo-2-methyl-2-propanol | 1-bromo-2-methyl-propan-2-ol | 1-bromo-2-methylpropan-2-ol | EN300-113587 | SCHEMBL9496...
  10. Brazilin
    CAS: 474-07-7 EC Number: 207-477-6 Formula: C16H14O5 Molecular Weight: 286.28
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B424123
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    IUPAC Name
    (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol
    SMILES
    C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4)O)O)O)O
    InChIKey
    UWHUTZOCTZJUKC-JKSUJKDBSA-N
    InChI
    1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2/t15-,16+/m0/s1
    Synonyms
    AS-56044 | Natural Red 24 | Benz[b]indeno[1,2-d]pyran-3,6a,9,10(6H)-tetrol, 7,11b-dihydro-,(6aS,11bR)- | CHEBI:3170 |...
  11. Brefeldin A
    CAS: 20350-15-6 Formula: C16H24O4 Molecular Weight: 280.36
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B408392
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    Synonyms
    4H-Cyclopent[f]oxacyclotridecin-4-one, 1,6,7,8,9,11a,12,13,14,14a-decahydro-1,13-dihydroxy-6-methyl-, (1R,2E,6S,10E,1...
  12. Brequinar sodium
    CAS: 96201-88-6 Formula: C23H14F2NO2Na Molecular Weight: 397.35
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B427163
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    IUPAC Name
    sodium;6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
    SMILES
    CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)[O-].[Na+]
    InChIKey
    PZOHOALJQOFNTB-UHFFFAOYSA-M
    InChI
    1S/C23H15F2NO2.Na/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25;/h2-12H,1H3,(H,27,28);/q;+1/p-1
    Synonyms
    6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methyl-4-quinolinecarboxylic acid sodium | DuP785 (sodium); NSC 368390 (s...
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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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