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).

136,943 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

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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Showing 16993-17004 of 136,943

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  1. TAM-IN-2
    CAS: 2135642-56-5 PubChem CID: 130447757 Formula: C31H27F2N7O3 Molecular Weight: 583.59
    ◐ Made to order · 8–12 wks Item #: T646967
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    Technical Identifiers
    IUPAC Name
    N-[4-[7-(1-acetylpiperidin-4-yl)-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
    SMILES
    CC(=O)N1CCC(CC1)C2=CC(=C3N2N=CN=C3N)C4=C(C=C(C=C4)NC(=O)C5=CC=CN(C5=O)C6=CC=C(C=C6)F)F
    InChIKey
    PLCVJNJRUVNDEY-UHFFFAOYSA-N
    InChI
    1S/C31H27F2N7O3/c1-18(41)38-13-10-19(11-14-38)27-16-25(28-29(34)35-17-36-40(27)28)23-9-6-21(15-26(23)33)37-30(42)24-3-2-12-39(31(24)43)22-7-4-20(32)5-show more
  2. S55746 hydrochloride
    CAS: 1448525-91-4 PubChem CID: 71654876 Formula: C43H43ClN4O6 Molecular Weight: 747.28
    ◐ Made to order · 8–12 wks Item #: S647087
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    IUPAC Name
    N-(4-hydroxyphenyl)-3-[6-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-N-phenyl-5,6,7,8-tetrahydroindolshow more
    SMILES
    C1CCN2C(=C(C=C2C3=CC4=C(C=C3C(=O)N5CC6=CC=CC=C6CC5CN7CCOCC7)OCO4)C(=O)N(C8=CC=CC=C8)C9=CC=C(C=C9)O)C1
    InChIKey
    VYXJULKGMXJVGI-XIFFEERXSA-N
    InChI
    1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4show more
    Synonyms
    s55746|S-55746|S55746 (BLC201)|S55746 (S 055746,BCL201)|(S)-N-(4-hydroxyphenyl)-3-(6-(3-(morpholinomethyl)-1,2,3,4-te...
  3. Nitazoxanide-d4
    CAS: 1246819-17-9 Formula: C12H5D4N3O5S Molecular Weight: 311.31
    ◐ Made to order · 8–12 wks Item #: N646992
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    IUPAC Name
    [2,3,4,5-tetradeuterio-6-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
    SMILES
    CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-]
    InChIKey
    YQNQNVDNTFHQSW-QFFDRWTDSA-N
    InChI
    1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)/i2D,3D,4D,5D
  4. Ponatinib-d8
    CAS: 1562993-37-6 Formula: C29H19D8F3N6O Molecular Weight: 540.61
    ◐ Made to order · 8–12 wks Item #: P646946
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    IUPAC Name
    3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamshow more
    SMILES
    CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5
    InChIKey
    PHXJVRSECIGDHY-DHNBGMNGSA-N
    InChI
    1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,1show more
  5. Pimonidazole hydrochloride
    CAS: 70132-51-3 PubChem CID: 104997 Formula: C11H19ClN4O3 Molecular Weight: 290.75
    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 #: P646989
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    Technical Identifiers
    SMILES
    C1CCN(CC1)CC(CN2C=CN=C2[N+](=O)[O-])O.Cl
  6. KRA-533
    CAS: 10161-87-2 PubChem CID: 270269 Formula: C13H16BrNO3 Molecular Weight: 314.18
    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%
    ◐ Made to order · 8–12 wks Item #: K647101
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    IUPAC Name
    4-[4-[(2-bromoacetyl)amino]butyl]benzoic acid
    SMILES
    C1=CC(=CC=C1CCCCNC(=O)CBr)C(=O)O
    InChIKey
    WZQJLTLURXNPQG-UHFFFAOYSA-N
    InChI
    1S/C13H16BrNO3/c14-9-12(16)15-8-2-1-3-10-4-6-11(7-5-10)13(17)18/h4-7H,1-3,8-9H2,(H,15,16)(H,17,18)
    Synonyms
    4-(4-(2-Bromoacetamido)butyl)benzoic acid|Benzoic acid, 4-[4-[(2-bromoacetyl)amino]butyl]-|4-{4-[(bromoacetyl)amino]b...
  7. Cytidine 5′-diphosphoethanolamine
    CAS: 3036-18-8 PubChem CID: 123727 Formula: C11H20N4O11P2 Molecular Weight: 446.24
    ◐ Made to order · 8–12 wks Item #: C647093
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    IUPAC Name
    [2-aminoethoxy(hydroxy)phosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
    SMILES
    C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCCN)O)O
    InChIKey
    WVIMUEUQJFPNDK-PEBGCTIMSA-N
    InChI
    1S/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,show more
    Synonyms
    2-AMINOETHOXY-[[5-(4-AMINO-2-OXO-PYRIMIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]OXY-PHOSPHINIC ...
  8. Mavatrep, Vanilloid receptor antagonist
    CAS: 956274-94-5 PubChem CID: 17751090 Formula: C25H21F3N2O Molecular Weight: 422.44
    ● In Stock — US warehouse, ships to EU* Item #: M647100
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    IUPAC Name
    2-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
    SMILES
    CC(C)(C1=CC=CC=C1C2=CC3=C(C=C2)N=C(N3)C=CC4=CC=C(C=C4)C(F)(F)F)O
    InChIKey
    ORDHXXHTBUZRCN-NTEUORMPSA-N
    InChI
    1S/C25H21F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b14-9+
    Synonyms
    Mavatrep (USAN)|Mavatrep(JNJ-39439335)|Mavatrep [USAN]|Mavatrep|(E)-2-(2-(2-(4-(trifluoromethyl)styryl)-1H-benzo[d]im...
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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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