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

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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. Erlotinib-d6 HCl
    CAS: 1189953-78-3 Formula: C22H18D6ClN3O4 Molecular Weight: 399.48 + 36.46
    ● In Stock — US warehouse, ships to EU* Item #: E381498
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    Technical Identifiers
    IUPAC Name
    N-(3-ethynylphenyl)-6,7-bis[2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine;hydrochloride
    SMILES
    COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl
    InChIKey
    GTTBEUCJPZQMDZ-HVTBMTIBSA-N
    InChI
    1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H/show more
    Synonyms
    Tarceva-d3 | N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy-d3)-4-quinazolinamine Hydrochloride
  2. Ertapenem sodium(L-749345), Bacterial penicillin-binding protein inhibitor
    CAS: 153773-82-1 EC Number: 836-232-1 Formula: C22H24N3NaO7S Molecular Weight: 497.5
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. GR ? Guaranteed Reagent grade — the highest analytical purity tier, with tightly controlled impurities. Use for precise quantitative work and reference measurements.
    ● In Stock — US warehouse, ships to EU* Item #: E302984
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    IUPAC Name
    sodium;(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-eshow more
    SMILES
    CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)[O-])C(C)O.[Na+]
    InChIKey
    ZXNAQFZBWUNWJM-HRXMHBOMSA-M
    InChI
    1S/C22H25N3O7S.Na/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30;/h3-6,9-10,13-16,23,26H,7-8H2,show more
    Synonyms
    Ertapenem sodium | Q-201065 | MK-0826 | L-749345;MK-826 | AC-1633 | Ertapenem sodium salt | Sodium (4R,5S,6S)-3-(((3S...
  3. Ertapenem sodium(L-749345), Bacterial penicillin-binding protein inhibitor
    CAS: 153773-82-1 EC Number: 836-232-1 Formula: C22H24N3NaO7S Molecular Weight: 497.5
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E421825
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    Technical Identifiers
    IUPAC Name
    sodium;(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-eshow more
    SMILES
    CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)[O-])C(C)O.[Na+]
    InChIKey
    ZXNAQFZBWUNWJM-HRXMHBOMSA-M
    InChI
    1S/C22H25N3O7S.Na/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30;/h3-6,9-10,13-16,23,26H,7-8H2,show more
  4. Ertugliflozin L-pyroglutamic acid
    CAS: 1210344-83-4 EC Number: 863-196-4 PubChem CID: 57339449 Formula: C27H32ClNO10 Molecular Weight: 566
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E420919
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    Technical Identifiers
    IUPAC Name
    (1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(2S)-5-oxopyrrolidine-2-carshow more
    SMILES
    CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C34C(C(C(C(O3)(CO4)CO)O)O)O)Cl.C1CC(=O)NC1C(=O)O
    InChIKey
    YHIUPZFKHZTLSH-LXYIGGQGSA-N
    InChI
    1S/C22H25ClO7.C5H7NO3/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22;7-4-2-1-3(6-4)5(8)9/h3-8,10,18-20,show more
    Synonyms
    ERTUGLIFLOZIN PIDOLATE COMPONENT OF SEGLUROMET | D80789 | (S)-5-oxopyrrolidine-2-carboxylic acid compound with (1S,2S...
  5. Erucic acid
    CAS: 112-86-7 EC Number: 204-011-3 Formula: C22H42O2 Molecular Weight: 338.57
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E420666
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    IUPAC Name
    (Z)-docos-13-enoic acid
    SMILES
    CCCCCCCCC=CCCCCCCCCCCCC(=O)O
    InChIKey
    DPUOLQHDNGRHBS-KTKRTIGZSA-N
    InChI
    1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-
    Synonyms
    (Z)-13-Docosenoic acid | DTXCID706931 | Prifac 2990 | C22:1,n-9 cis | Hystrene 2290 | HY-N7109A | C22:1n-9 | delta13:...
  6. Erythromycin Cyclocarbonate
    CAS: 55224-05-0 PubChem CID: 10033072 Formula: C38H65NO14 Molecular Weight: 759.92
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E408909
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    Technical Identifiers
    Synonyms
    cyclic 11,12-carbonate erythromycin
  7. Erythrosin B
    CAS: 16423-68-0 EC Number: 240-474-8 PubChem CID: 12961638 Formula: C20H6I4Na2O5 Molecular Weight: 879.88
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E422032
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    Technical Identifiers
    IUPAC Name
    disodium;2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
    SMILES
    C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.[Na+].[Na+]
    InChIKey
    RAGZEDHHTPQLAI-UHFFFAOYSA-L
    InChI
    1S/C20H8I4O5.2Na/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;;/h1-6,25-26H;;/q;2*+1/p-2
    Synonyms
    16423-68-0|Erythrosin B|ERYTHROSINE|Erythrosine B|C.I. Acid Red 51|Erythrosine sodium (close form)|Sodium 2',4',5',7'...
  8. Equol, Estrogen receptor beta agonist
    CAS: 531-95-3 EC Number: 208-522-2 Formula: C15H14O3 Molecular Weight: 242.27
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: E129401
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    IUPAC Name
    (3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
    SMILES
    C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
    InChIKey
    ADFCQWZHKCXPAJ-GFCCVEGCSA-N
    InChI
    1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1
    Synonyms
    (?)-Equol | BDBM50410528 | EQUOL [INCI] | SCHEMBL43647 | (-)-Equol | CHEBI:34741 | A829437 | (4-methoxyphenyl)-piperi...
  9. Erianin
    CAS: 95041-90-0 Formula: C18H22O5 Molecular Weight: 318.36
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E427056
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    IUPAC Name
    2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
    SMILES
    COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O
    InChIKey
    UXDFUVFNIAJEGM-UHFFFAOYSA-N
    InChI
    1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3
    Synonyms
    5-(3,4,5-trimethoxyphenethyl)-2-methoxyphenol | DTXSID40326751 | UXDFUVFNIAJEGM-UHFFFAOYSA-N | NSC-613744 | FT-060870...
  10. Escitalopram Oxalate, Serotonin transporter inhibitor
    CAS: 219861-08-2 EC Number: 620-544-8 PubChem CID: 146571 Formula: C20H21FN2O·C2H2O4 Molecular Weight: 414.43
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E409043
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    Synonyms
    5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-, ethanedioate (1:1)
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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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