Targets & Pathways

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

2,815

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. 4-Nitrophenyl sulfamate
    CAS: 108555-00-6 PubChem CID: 10420920 Formula: C6H6N2O5S Molecular Weight: 218.19
    ◐ Made to order · 8–12 wks Item #: N669097
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    Technical Identifiers
    IUPAC Name
    (4-nitrophenyl) sulfamate
    SMILES
    C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)N
    InChIKey
    OLTVRSUIOUTBRQ-UHFFFAOYSA-N
    InChI
    1S/C6H6N2O5S/c7-14(11,12)13-6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
    Synonyms
    4-nitrophenyl sulfamate|Sulfamic acid, 4-nitrophenyl ester|(4-nitrophenyl) sulfamate|Sulfamic acid 4-nitro-phenyl ester
  2. 4-N-phenyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
    CAS: 24459-88-9 Formula: C21H29N3 Molecular Weight: 323.5
    ◐ Made to order · 8–12 wks Item #: N668260
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    IUPAC Name
    4-N-phenyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
    SMILES
    CC1(CC(CC(N1)(C)C)NC2=CC=C(C=C2)NC3=CC=CC=C3)C
    InChIKey
    NQIGBASDJIFWRK-UHFFFAOYSA-N
    InChI
    1S/C21H29N3/c1-20(2)14-19(15-21(3,4)24-20)23-18-12-10-17(11-13-18)22-16-8-6-5-7-9-16/h5-13,19,22-24H,14-15H2,1-4H3
    Synonyms
    n1-phenyl-n4-(2,2,6,6-tetramethyl-4-piperidyl)benzene-1,4-diamine|4-N-phenyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)b...
  3. 4-Methyl-2,3,4,5-tetrahydropyridin-6-amine
    CAS: 165383-71-1 Formula: C6H12N2 Molecular Weight: 112.17
    ◐ Made to order · 8–12 wks Item #: M668825
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    Technical Identifiers
    IUPAC Name
    4-methyl-2,3,4,5-tetrahydropyridin-6-amine
    SMILES
    CC1CCN=C(C1)N
    InChIKey
    GGDLOMFAKKVDPT-UHFFFAOYSA-N
    InChI
    1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)
    Synonyms
    2-imino-4-methylpiperidine|4-methyl-2,3,4,5-tetrahydropyridin-6-amine|4-Methyl-piperidin-(2E)-ylideneamine|4-Methyl-p...
  4. 5-(Pyridin-3-yl)thiophene-2-carbaldehyde
    CAS: 133531-43-8 PubChem CID: 10899427 Formula: C10H7NOS Molecular Weight: 189.24
    ◐ Made to order · 8–12 wks Item #: P669112
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    Technical Identifiers
    IUPAC Name
    5-pyridin-3-ylthiophene-2-carbaldehyde
    SMILES
    C1=CC(=CN=C1)C2=CC=C(S2)C=O
    InChIKey
    DIQWXENHCURRML-UHFFFAOYSA-N
    InChI
    1S/C10H7NOS/c12-7-9-3-4-10(13-9)8-2-1-5-11-6-8/h1-7H
    Synonyms
    5-(Pyridin-3-yl)thiophene-2-carbaldehyde|5-pyridin-3-ylthiophene-2-carbaldehyde|5-(3-PYRIDINYL)-2-THIOPHENECARBALDEHY...
  5. 5-Bromo-2-hydroxy-[1,1'-biphenyl]-3-carboxylic acid
    CAS: 99514-99-5 PubChem CID: 22607959 Formula: C13H9BrO3 Molecular Weight: 293.11
    ◐ Made to order · 8–12 wks Item #: B669225
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    Technical Identifiers
    IUPAC Name
    5-bromo-2-hydroxy-3-phenylbenzoic acid
    SMILES
    C1=CC=C(C=C1)C2=C(C(=CC(=C2)Br)C(=O)O)O
    InChIKey
    HUQWWRUNBHYQLK-UHFFFAOYSA-N
    InChI
    1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)
    Synonyms
    5-Bromo-3-phenyl salicylic acid|5-bromo-2-hydroxy-3-phenylbenzoic acid|5-Bromo-2-hydroxy-[1,1'-biphenyl]-3-carboxylic...
  6. 5-(p-Tolylazo)-8-quinolinol
    CAS: 897929-89-4 Formula: C16H13N3O Molecular Weight: 263.29
    ◐ Made to order · 8–12 wks Item #: P668149
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    Technical Identifiers
    IUPAC Name
    5-[(4-methylphenyl)diazenyl]quinolin-8-ol
    SMILES
    CC1=CC=C(C=C1)N=NC2=C3C=CC=NC3=C(C=C2)O
    InChIKey
    VZLUNLPYLKJNQR-UHFFFAOYSA-N
    InChI
    1S/C16H13N3O/c1-11-4-6-12(7-5-11)18-19-14-8-9-15(20)16-13(14)3-2-10-17-16/h2-10,20H,1H3
    Synonyms
    5-(p-Tolylazo)-8-quinolinol|5-[(4-methylphenyl)diazenyl]quinolin-8-ol|5-(p-Tolyldiazenyl)quinolin-8-ol|(E)-5-(p-Tolyl...
  7. 5-Bromo-1-(2-methylallyl)indoline-2,3-dione
    CAS: 122834-40-6 EC Number: 682-994-1 Formula: C12H10BrNO2 Molecular Weight: 280.12
    ◐ Made to order · 8–12 wks Item #: B668658
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    IUPAC Name
    5-bromo-1-(2-methylprop-2-enyl)indole-2,3-dione
    SMILES
    CC(=C)CN1C2=C(C=C(C=C2)Br)C(=O)C1=O
    InChIKey
    RUGKDKWVOXRCGI-UHFFFAOYSA-N
    InChI
    1S/C12H10BrNO2/c1-7(2)6-14-10-4-3-8(13)5-9(10)11(15)12(14)16/h3-5H,1,6H2,2H3
    Synonyms
    5-Bromo-1-(2-methylallyl)indoline-2,3-dione|5-bromo-1-(2-methylprop-2-en-1-yl)-2,3-dihydro-1H-indole-2,3-dione|Isatin...
  8. 5-Aminopyridine-2-sulfonamide
    CAS: 64356-57-6 EC Number: 853-491-6 PubChem CID: 22313850 Formula: C5H7N3O2S Molecular Weight: 173.2
    ◐ Made to order · 8–12 wks Item #: A669224
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    Technical Identifiers
    IUPAC Name
    5-aminopyridine-2-sulfonamide
    SMILES
    C1=CC(=NC=C1N)S(=O)(=O)N
    InChIKey
    SFCUESWCLXDTCC-UHFFFAOYSA-N
    InChI
    1S/C5H7N3O2S/c6-4-1-2-5(8-3-4)11(7,9)10/h1-3H,6H2,(H2,7,9,10)
    Synonyms
    5-aminopyridine-2-sulfonamide|5-Amino-2-pyridinesulfonamide|5-amino-pyridine-2-sulfonic acid amide|2-Sulfamyl-5-amino...
  9. 5-Bromo-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
    CAS: 155983-98-5 PubChem CID: 10016330 Formula: C7H5BrN2O3S Molecular Weight: 277.1
    ◐ Made to order · 8–12 wks Item #: B669060
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    Technical Identifiers
    IUPAC Name
    5-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
    SMILES
    C1=CC2=C(C(=C1)Br)NC(=O)NS2(=O)=O
    InChIKey
    UNWFVIMGKIDJKB-UHFFFAOYSA-N
    InChI
    1S/C7H5BrN2O3S/c8-4-2-1-3-5-6(4)9-7(11)10-14(5,12)13/h1-3H,(H2,9,10,11)
    Synonyms
    5-Bromo-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide|5-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one|5-...
  10. 5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
    CAS: 5282-89-3 PubChem CID: 12910720 Formula: C14H18N2O3S Molecular Weight: 294.37
    ◐ Made to order · 8–12 wks Item #: D669185
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    Technical Identifiers
    IUPAC Name
    5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
    SMILES
    CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCO
    InChIKey
    OLNUFXNRCJFBMZ-UHFFFAOYSA-N
    InChI
    1S/C14H18N2O3S/c1-16(2)13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)15-9-10-17/h3-8,15,17H,9-10H2,1-2H3
    Synonyms
    5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide|dansyl-ethanolamine|N-dansyl ethanolamine|starbld002386...
  11. 5-Chloro-3-(2-aminopropyl)indole
    CAS: 712-07-2 PubChem CID: 12833 Formula: C11H13ClN2 Molecular Weight: 208.69
    ◐ Made to order · 8–12 wks Item #: C667846
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    Technical Identifiers
    IUPAC Name
    1-(5-chloro-1H-indol-3-yl)propan-2-amine
    SMILES
    CC(CC1=CNC2=C1C=C(C=C2)Cl)N
    InChIKey
    QMKOQSCXSYPIPB-UHFFFAOYSA-N
    InChI
    1S/C11H13ClN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3
    Synonyms
    5-Chloro-3-(2-aminopropyl)indole|5-Chloro-alphaMT|1-(5-chloro-1H-indol-3-yl)propan-2-amine|INDOLE, 3-(2-AMINOPROPYL)-...
  12. 5-Chloro-3-(4-morpholinylmethyl)-2(3H)-benzoxazolone
    CAS: 16376-61-7 Formula: C12H13ClN2O3 Molecular Weight: 268.69
    ◐ Made to order · 8–12 wks Item #: C667881
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    Technical Identifiers
    IUPAC Name
    5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one
    SMILES
    C1COCCN1CN2C3=C(C=CC(=C3)Cl)OC2=O
    InChIKey
    HUXKPGMUERDTKR-UHFFFAOYSA-N
    InChI
    1S/C12H13ClN2O3/c13-9-1-2-11-10(7-9)15(12(16)18-11)8-14-3-5-17-6-4-14/h1-2,7H,3-6,8H2
    Synonyms
    N-(Morpholinomethyl)chlorzoxazone|5-Chloro-3-(morpholinomethyl)-2-benzoxazolinone|Morfolinometylo-5-chloro-benzoksazo...
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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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