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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136,965 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 (where available)—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. TASP 0390325
    CAS: 1642187-96-9 PubChem CID: 86765292 Formula: C25H29ClFN5O4.HCl Molecular Weight: 554.44
    ● In Stock — US warehouse, ships to EU* Item #: T286589
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    IUPAC Name
    2-[2-(3-chloro-4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide;hydrochloride
    SMILES
    CC(C)NC(=O)CN1C(=NC2=C(C1=O)C=C(C=N2)OCCCN3CCOCC3)C4=CC(=C(C=C4)F)Cl.Cl
    InChIKey
    NUIXGNLBPARAII-UHFFFAOYSA-N
    InChI
    1S/C25H29ClFN5O4.ClH/c1-16(2)29-22(33)15-32-24(17-4-5-21(27)20(26)12-17)30-23-19(25(32)34)13-18(14-28-23)36-9-3-6-31-7-10-35-11-8-31;/h4-5,12-14,16H,3show more
    Synonyms
    2-(3-Chloro-4-fluorophenyl)-N-(1-methylethyl)-6-[3-(4-morpholinyl)propoxy]-4-oxo-pyrido[2,3-d]pyrimidine-3(4H)-acetam...
  2. 8-Methylimidazo[1,2-a]pyridine
    CAS: 874-10-2 Formula: C8H8N2 Molecular Weight: 132.17
    Liquid ≥95%
    ● In Stock — US warehouse, ships to EU* Item #: M344891
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    IUPAC Name
    8-methylimidazo[1,2-a]pyridine
    SMILES
    CC1=CC=CN2C1=NC=C2
    InChIKey
    BJZAXTJBEBNEDL-UHFFFAOYSA-N
    InChI
    1S/C8H8N2/c1-7-3-2-5-10-6-4-9-8(7)10/h2-6H,1H3
    Synonyms
    8-Methylimidazo[1,2-a]pyridine, AldrichCPR | AKOS005071078 | J-519462 | 8-methyl-imidazo[1,2-a]pyridine | 8-methylimi...
  3. Atosiban acetate
    CAS: 914453-95-5 PubChem CID: 87665603 Formula: C45H71N11O14S2 Molecular Weight: 1054.24
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: A294938
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    IUPAC Name
    acetic acid;(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16show more
    SMILES
    CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)O.CC(=O)O
    InChIKey
    SVDWBHHCPXTODI-QIWYXCRTSA-N
    InChI
    1S/C43H67N11O12S2.C2H4O2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21show more
    Synonyms
    Atosiban acetate (90779-69-4 free base) | EX-A7437 | Q27237053 | GLYCINAMIDE, O-ETHYL-N-(3-MERCAPTO-1-OXOPROPYL)-D-TY...
  4. AMG 21629
    CAS: 939040-79-6 Formula: C22H19F3N6O3 Molecular Weight: 472.42
    ◐ .Made to order · 8–12 wks Item #: A288240
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    IUPAC Name
    3-amino-5-[2-(2-methoxyethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one
    SMILES
    COCCNC1=NC(=CC(=N1)OC2=CC=CC3=C2N=C(C(=O)N3)N)C4=CC=C(C=C4)C(F)(F)F
    InChIKey
    TUMYQRZCVIQKOQ-UHFFFAOYSA-N
    InChI
    1S/C22H19F3N6O3/c1-33-10-9-27-21-29-15(12-5-7-13(8-6-12)22(23,24)25)11-17(30-21)34-16-4-2-3-14-18(16)31-19(26)20(32)28-14/h2-8,11H,9-10H2,1H3,(H2,26,3show more
    Synonyms
    3-Amino-5-[[2-[(2-methoxyethyl)amino]-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]oxy]-2(1H)-quinoxalinone
  5. Allomatrine
    CAS: 641-39-4 Formula: C15H24N2O Molecular Weight: 248.36
    Solid ≥98%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: A304257
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    IUPAC Name
    (1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
    SMILES
    C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1
    InChIKey
    ZSBXGIUJOOQZMP-KYEXWDHISA-N
    InChI
    1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15+/m0/s1
    Synonyms
    MS-23520 | (1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one | (+)-allomatrine | AKOS040759060 |...
  6. 8-Bromoadenosine 3′,5′-cyclic monophosphate sodium salt
    CAS: 76939-46-3 Formula: C10H10BrN5NaO6P Molecular Weight: 430.08
    ● In Stock — US warehouse, ships to EU* Item #: B304590
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    IUPAC Name
    sodium;(4aR,6R,7R,7aS)-6-(6-amino-8-bromopurin-9-yl)-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
    SMILES
    C1C2C(C(C(O2)N3C4=NC=NC(=C4N=C3Br)N)O)OP(=O)(O1)[O-].[Na+]
    InChIKey
    DMRMZQATXPQOTP-GWTDSMLYSA-M
    InChI
    1S/C10H11BrN5O6P.Na/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6;/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14);/q;+1/p-1/t3-,5-,show more
    Synonyms
    8-Br-Camp sodium salt | 8-Br-cAMP sodium | Q27121418 | SMR000326869 | C10H10BrN5NaO6P | HB0090 | 8-Br-cAMP sodium sal...
  7. FFN206
    CAS: 1447064-50-7 PubChem CID: 137699583 Formula: C12H14N2O2.1.5CF3CO2H Molecular Weight: 389.29
    ◐ .Made to order · 8–12 wks Item #: F276005
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    IUPAC Name
    4-(2-aminoethyl)-7-(methylamino)chromen-2-one;2,2,2-trifluoroacetic acid
    SMILES
    CNC1=CC2=C(C=C1)C(=CC(=O)O2)CCN.CNC1=CC2=C(C=C1)C(=CC(=O)O2)CCN.CNC1=CC2=C(C=C1)C(=CC(=O)O2)CCN.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
    InChIKey
    WQRKMUIQDPMATE-UHFFFAOYSA-N
    InChI
    1S/3C12H14N2O2.2C2HF3O2/c3*1-14-9-2-3-10-8(4-5-13)6-12(15)16-11(10)7-9;2*3-2(4,5)1(6)7/h3*2-3,6-7,14H,4-5,13H2,1H3;2*(H,6,7)
    Synonyms
    4-(2-Aminoethyl)-7-(methylamino)-2H-chromen-2-onetrifluoroacetate
  8. Fmoc-L-Phenylglycinol
    CAS: 215178-44-2 Formula: C23H21NO3 Molecular Weight: 359.42
    ● In Stock — US warehouse, ships to EU* Item #: F338602
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    IUPAC Name
    9H-fluoren-9-ylmethyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate
    SMILES
    C1=CC=C(C=C1)C(CO)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
    InChIKey
    CATSPGUSOQBNRU-JOCHJYFZSA-N
    InChI
    1S/C23H21NO3/c25-14-22(16-8-2-1-3-9-16)24-23(26)27-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22,25H,14-15H2,(H,24,26)/t22-/m1/s1
  9. Fmoc-Ngamma-xanthyl-D-asparagine
    CAS: 353236-19-8 PubChem CID: 56777054 Formula: C32H26N2O6 Molecular Weight: 534.56
    ● In Stock — US warehouse, ships to EU* Item #: F338299
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    IUPAC Name
    (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid
    SMILES
    C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)NC4C5=CC=CC=C5OC6=CC=CC=C46)C(=O)O
    InChIKey
    BHSJDYJRHPNVAM-AREMUKBSSA-N
    InChI
    1S/C32H26N2O6/c35-29(34-30-23-13-5-7-15-27(23)40-28-16-8-6-14-24(28)30)17-26(31(36)37)33-32(38)39-18-25-21-11-3-1-9-19(21)20-10-2-4-12-22(20)25/h1-16,show more
  10. TCS PIM-1 1
    CAS: 491871-58-0 PubChem CID: 1235170 Formula: C18H11BrN2O2 Molecular Weight: 367.2
    ● In Stock — US warehouse, ships to EU* Item #: T288715
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    IUPAC Name
    6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
    SMILES
    C1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=C(C=CC(=C3)Br)O)C#N
    InChIKey
    SVSYJTYGPLVUOZ-UHFFFAOYSA-N
    InChI
    1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
    Synonyms
    SC 204330 | 3-Cyano-4-phenyl-6-(3-bromo-6-hydroxy)phenyl-2(1H)-pyridone | 6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-...
  11. Fmoc-O-acetyl-L-serine
    CAS: 171778-17-9 PubChem CID: 7018824 Formula: C20H19NO6 Molecular Weight: 369.37
    ● In Stock — US warehouse, ships to EU* Item #: F339072
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    IUPAC Name
    (2S)-3-acetyloxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
    SMILES
    CC(=O)OCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
    InChIKey
    HSGIKRPBGCJRDB-SFHVURJKSA-N
    InChI
    1S/C20H19NO6/c1-12(22)26-11-18(19(23)24)21-20(25)27-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-11H2,1H3,(H,21,25)(H,23,24)/t18-/m0/s1
    Synonyms
    (S)-3-((9H-Fluoren-9-yl)methoxy)-2-(acetoxymethyl)-2-amino-3-oxopropanoic acid | NSC 778228 | F10690 | AMY39940 | DS-...
  12. TC-G 1004
    CAS: 1061747-72-5 PubChem CID: 25074316 Formula: C22H27N7O2 Molecular Weight: 421.5
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ◐ .Made to order · 8–12 wks Item #: T288188
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    IUPAC Name
    N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
    SMILES
    CC1=CC(=NN1C2=NC(=CC(=N2)NC(=O)C)C3=NC(=CC=C3)N4CCC(CC4)OC)C
    InChIKey
    JENSDTKXNVHSSN-UHFFFAOYSA-N
    InChI
    1S/C22H27N7O2/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26show more
    Synonyms
    N-[2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methoxy-1-piperidinyl)-2-pyridinyl]-4-pyrimidinyl]acetamide
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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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