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).

136,942 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

2,814

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. SGC GAK 1
    CAS: 2226517-76-4 PubChem CID: 134812846 Formula: C18H17BrN2O3 Molecular Weight: 389.24
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: S422671
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    Technical Identifiers
    IUPAC Name
    6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
    SMILES
    COC1=CC(=CC(=C1OC)OC)NC2=C3C=C(C=CC3=NC=C2)Br
    InChIKey
    AUOSKLDNVNGKRR-UHFFFAOYSA-N
    InChI
    1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21)
    Synonyms
    SGC-GAK-1;6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine;6-Bromo-N-(3,4,5-trimethoxyphenyl)-4-quinolinamine
  2. SKLB-23bb
    CAS: 1815580-06-3 PubChem CID: 122550211 Formula: C21H24N4O4 Molecular Weight: 396.44
    ● In Stock — US warehouse, ships to EU* Item #: S414149
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    IUPAC Name
    N-hydroxy-4-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide
    SMILES
    CC1=NC2=CC=CC=C2C(=N1)N(C)C3=CC(=C(C=C3)OC)OCCCC(=O)NO
    InChIKey
    FWXZZFONXWYSEF-UHFFFAOYSA-N
    InChI
    1S/C21H24N4O4/c1-14-22-17-8-5-4-7-16(17)21(23-14)25(2)15-10-11-18(28-3)19(13-15)29-12-6-9-20(26)24-27/h4-5,7-8,10-11,13,27H,6,9,12H2,1-3H3,(H,24,26)
    Synonyms
    Butanamide,N-​hydroxy-​4-​[2-​methoxy-​5-​[methyl(2-​methyl-​4-​quinazolinyl)​amino]​phenoxy]​-
  3. SKLB1002
    CAS: 1225451-84-2 EC Number: 808-410-9 PubChem CID: 71461003 Formula: C13H12N4O2S2 Molecular Weight: 320.39
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: S420968
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    IUPAC Name
    2-(6,7-dimethoxyquinazolin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
    SMILES
    CC1=NN=C(S1)SC2=NC=NC3=CC(=C(C=C32)OC)OC
    InChIKey
    RQVGFDBMONQTBC-UHFFFAOYSA-N
    InChI
    1S/C13H12N4O2S2/c1-7-16-17-13(20-7)21-12-8-4-10(18-2)11(19-3)5-9(8)14-6-15-12/h4-6H,1-3H3
    Synonyms
    2-((6,7-Dimethoxyquinazolin-4-yl)thio)-5-methyl-1,3,4-thiadiazole | 6,7-dimethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)...
  4. SKLB4771 (FLT3-IN-1)
    CAS: 1370256-78-2 PubChem CID: 57412684 Formula: C25H27N7O3S2 Molecular Weight: 537.66
    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 #: S412688
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    IUPAC Name
    1-(4-methylphenyl)-3-[5-[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazol-2-yl]urea
    SMILES
    CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SC3=NC=NC4=C3C=CC(=C4)OCCCN5CCOCC5
    InChIKey
    LKXFSTAQMOENSC-UHFFFAOYSA-N
    InChI
    1S/C25H27N7O3S2/c1-17-3-5-18(6-4-17)28-23(33)29-24-30-31-25(37-24)36-22-20-8-7-19(15-21(20)26-16-27-22)35-12-2-9-32-10-13-34-14-11-32/h3-8,15-16H,2,9-show more
    Synonyms
    1-(5-((7-(3-Morpholinopropoxy)quinazolin-4-yl)thio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea
  5. SP-96
    CAS: 2682114-54-9 PubChem CID: 154573766 Formula: C25H20FN7O Molecular Weight: 453.47
    ● In Stock — US warehouse, ships to EU* Item #: S414446
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    IUPAC Name
    1-(3-fluorophenyl)-3-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]urea
    SMILES
    CN1C=C(C=N1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC(=CC=C4)NC(=O)NC5=CC(=CC=C5)F
    InChIKey
    CGDYRZUPKPBLND-UHFFFAOYSA-N
    InChI
    1S/C25H20FN7O/c1-33-14-17(13-29-33)16-8-9-22-23(10-16)27-15-28-24(22)30-20-6-3-7-21(12-20)32-25(34)31-19-5-2-4-18(26)11-19/h2-15H,1H3,(H,27,28,30)(H2,show more
    Synonyms
    1-(3-(7-(2-methyl-2H-imidazol-4-yl)quinazolin-4-ylamino)phenyl)-3-(3-fluorophenyl)urea
  6. MeOSuc-AAPV-CMK
    CAS: 65144-34-5 Formula: C22H35ClN4O7 Molecular Weight: 502.99
    ● In Stock — US warehouse, ships to EU* Item #: S274813
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    IUPAC Name
    methyl 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(3S)-1-chloro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]aminoshow more
    SMILES
    CC(C)C(C(=O)CCl)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(C)NC(=O)CCC(=O)OC
    InChIKey
    PJGDFLJMBAYGGC-XLPNERPQSA-N
    InChI
    1S/C22H35ClN4O7/c1-12(2)19(16(28)11-23)26-21(32)15-7-6-10-27(15)22(33)14(4)25-20(31)13(3)24-17(29)8-9-18(30)34-5/h12-15,19H,6-11H2,1-5H3,(H,24,29)(H,2show more
    Synonyms
    Elastase Inhibitor III | N-(Methoxysuccinyl)-Ala-Ala-Pro-Val-chloromethyl ketone | N-(Methoxysuccinyl)-L-alanyl-L-ala...
  7. SPHINX31
    CAS: 1818389-84-2 PubChem CID: 91972002 Formula: C27H24F3N5O2 Molecular Weight: 507.51
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: S422230
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    IUPAC Name
    5-pyridin-4-yl-N-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
    SMILES
    C1CN(CCN1CC2=CC=CC=N2)C3=C(C=C(C=C3)C(F)(F)F)NC(=O)C4=CC=C(O4)C5=CC=NC=C5
    InChIKey
    VURLRACCOCGFDB-UHFFFAOYSA-N
    InChI
    1S/C27H24F3N5O2/c28-27(29,30)20-4-5-23(35-15-13-34(14-16-35)18-21-3-1-2-10-32-21)22(17-20)33-26(36)25-7-6-24(37-25)19-8-11-31-12-9-19/h1-12,17H,13-16,show more
    Synonyms
    2-​Furancarboxamide,5-​(4-​pyridinyl)​-​N-​[2-​[4-​(2-​pyridinylmethyl)​-​1-​piperazinyl]​-​5-​(trifluoromethyl)​phen...
  8. SKLB4771 (FLT3-IN-1)
    CAS: 1370256-78-2 PubChem CID: 57412684 Formula: C25H27N7O3S2 Molecular Weight: 537.66
    Liquid 10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: S421405
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    Technical Identifiers
    IUPAC Name
    1-(4-methylphenyl)-3-[5-[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazol-2-yl]urea
    SMILES
    CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SC3=NC=NC4=C3C=CC(=C4)OCCCN5CCOCC5
    InChIKey
    LKXFSTAQMOENSC-UHFFFAOYSA-N
    InChI
    1S/C25H27N7O3S2/c1-17-3-5-18(6-4-17)28-23(33)29-24-30-31-25(37-24)36-22-20-8-7-19(15-21(20)26-16-27-22)35-12-2-9-32-10-13-34-14-11-32/h3-8,15-16H,2,9-show more
    Synonyms
    Urea,N-(4-methylphenyl)-N'-[5-[[7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]thio]-1,3,4-thiadiazol-2-yl]-
  9. SKPin C1
    CAS: 432001-69-9 PubChem CID: 5733396 Formula: C18H13BrN2O4S2 Molecular Weight: 465.34
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: S423949
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    IUPAC Name
    2-[4-bromo-2-[(Z)-[4-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
    SMILES
    C1=CC(=CN=C1)CN2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC(=O)O)SC2=S
    InChIKey
    IYCJJVVXEHZJHE-CHHVJCJISA-N
    InChI
    1S/C18H13BrN2O4S2/c19-13-3-4-14(25-10-16(22)23)12(6-13)7-15-17(24)21(18(26)27-15)9-11-2-1-5-20-8-11/h1-8H,9-10H2,(H,22,23)/b15-7-
    Synonyms
    2-[4-Bromo-2-[[4-oxo-3-(3-pyridinylmethyl)-2-thioxo-5-thiazolidinylidene]methyl]phenoxy]acetic acid
  10. SMIFH2 Formin FH2 Domain Inhibitor
    CAS: 340316-62-3 EC Number: 694-670-7 PubChem CID: 2258538 Formula: C15H9BrN2O3S Molecular Weight: 377.21
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: S423479
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    IUPAC Name
    (5E)-1-(3-bromophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
    SMILES
    C1=CC(=CC(=C1)Br)N2C(=O)C(=CC3=CC=CO3)C(=O)NC2=S
    InChIKey
    MVFJHEQDISFYIS-XYOKQWHBSA-N
    InChI
    1S/C15H9BrN2O3S/c16-9-3-1-4-10(7-9)18-14(20)12(13(19)17-15(18)22)8-11-5-2-6-21-11/h1-8H,(H,17,19,22)/b12-8+
    Synonyms
    AKOS001651888 | 1-(3-Bromophenyl)-5-(2-furanylmethylene)dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione | BIM-0040107.P00...
  11. SN-38
    CAS: 86639-52-3 EC Number: 643-093-9 Formula: C22H20N2O5 Molecular Weight: 392.4
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: S407944
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    Technical Identifiers
    Synonyms
    NK012 | 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (4S)-
  12. SN6
    CAS: 415697-08-4 PubChem CID: 10222761 Formula: C20H22N2O5S Molecular Weight: 402.46
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: S423881
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    Technical Identifiers
    IUPAC Name
    ethyl 2-[[4-[(4-nitrophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxylate
    SMILES
    CCOC(=O)C1CSC(N1)CC2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-]
    InChIKey
    ZVYIJXLMBWCGHP-UHFFFAOYSA-N
    InChI
    1S/C20H22N2O5S/c1-2-26-20(23)18-13-28-19(21-18)11-14-5-9-17(10-6-14)27-12-15-3-7-16(8-4-15)22(24)25/h3-10,18-19,21H,2,11-13H2,1H3
    Synonyms
    BCP32885 | Ethyl 2-(4-((4-nitrobenzyl)oxy)benzyl)thiazolidine-4-carboxylate | N16889 | BRD-A14316475-001-01-5 | HMS36...
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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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