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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136,967 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. Synthetic mica
    CAS: 12003-38-2 Formula: KMg3(AlSi3O10)F2
    Solid 40 mesh
    ◐ .Made to order · 8–12 wks Item #: S302553
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    IUPAC Name
    dipotassium;dioxosilane;oxo(oxoalumanyloxy)alumane;oxygen(2-)
    SMILES
    [O-2].O=[Al]O[Al]=O.O=[Si]=O.[K+].[K+]
    InChIKey
    YGANSGVIUGARFR-UHFFFAOYSA-N
    InChI
    1S/2Al.2K.O2Si.4O/c;;;;1-3-2;;;;/q;;2*+1;;;;;-2
    Synonyms
    Muscovite|12001-26-2|Chacaltaite|Astrolit|Astrolite|Cogemika|Serikuron|Fluorian muscovite|Muscovite, fluorian|Clarite...
  2. Atorvastatin calcium salt trihydrate
    CAS: 134523-03-8 PubChem CID: 60822 Formula: C66H68CaF2N4O10 Molecular Weight: 1155.34
    ● In Stock — US Item #: A121956
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    IUPAC Name
    calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
    SMILES
    CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)show more
    InChIKey
    FQCKMBLVYCEXJB-MNSAWQCASA-L
    InChI
    1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/hshow more
    Synonyms
    Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-hept...
  3. FFN511
    CAS: 1004548-96-2 Formula: C17H20N2O2 Molecular Weight: 284.35
    ● In Stock — US Item #: F274714
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    IUPAC Name
    6-(2-aminoethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one;2,2,2-trifluoroacetic acid
    SMILES
    C1CC2=CC3=C(C4=C2N(C1)CCC4)OC(=O)C=C3CCN.C(=O)(C(F)(F)F)O
    InChIKey
    XHUSAIWAUAMZRG-UHFFFAOYSA-N
    InChI
    1S/C17H20N2O2.C2HF3O2/c18-6-5-11-10-15(20)21-17-13-4-2-8-19-7-1-3-12(16(13)19)9-14(11)17;3-2(4,5)1(6)7/h9-10H,1-8,18H2;(H,6,7)
    Synonyms
    9-(2-aminoethyl)-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one
  4. TAME
    CAS: 901-47-3 Formula: C14H22N4O4S Molecular Weight: 342.41
    ● In Stock — US Item #: T126267
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    IUPAC Name
    methyl (2S)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate
    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)OC
    InChIKey
    FKMJXALNHKIDOD-LBPRGKRZSA-N
    InChI
    1S/C14H22N4O4S/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17)/t12-/m0/s1
    Synonyms
    AKOS030214485 | CCG-264948 | Q27131658 | BCPP000052 | 1H7BKF44U1 | Methyl P-toluenesulfonyl-L-argininate | s2225 | FK...
  5. AH-7614
    CAS: 6326-06-3 Formula: C20H17NO3S Molecular Weight: 351.42
    ● In Stock — US Item #: A274890
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    IUPAC Name
    4-methyl-N-(9H-xanthen-9-yl)benzenesulfonamide
    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)NC2C3=CC=CC=C3OC4=CC=CC=C24
    InChIKey
    OZCQEUZTOAAWDK-UHFFFAOYSA-N
    InChI
    1S/C20H17NO3S/c1-14-10-12-15(13-11-14)25(22,23)21-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13,20-21H,1H3
    Synonyms
    DTXSID40979307 | Oprea1_006107 | OZCQEUZTOAAWDK-UHFFFAOYSA-N | AH-7614, >=98% (HPLC) | TG(11:0/11:0/11:0) | t-butoxyc...
  6. Fmoc-2,4-dichloro-D-beta-homophenylalanine
    CAS: 269396-54-5 PubChem CID: 7009783 Formula: C25H21Cl2NO4 Molecular Weight: 470.36
    ● In Stock — US Item #: F338350
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    IUPAC Name
    (3R)-4-(2,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
    SMILES
    C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=C(C=C(C=C4)Cl)Cl)CC(=O)O
    InChIKey
    UAGBOWBNDBDJMF-QGZVFWFLSA-N
    InChI
    1S/C25H21Cl2NO4/c26-16-10-9-15(23(27)12-16)11-17(13-24(29)30)28-25(31)32-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,12,17,22H,11,13-14H2,(H,28,3show more
    Synonyms
    (betaR)-2,4-Dichloro-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid | AKOS015948736 | AC-22172 | ...
  7. 8-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
    CAS: 107479-55-0 EC Number: 676-147-5 Formula: C9H11ClN2 Molecular Weight: 182.65
    Solid ≥95%
    ◐ .Made to order · 8–12 wks Item #: C343783
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    IUPAC Name
    8-chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
    SMILES
    C1CNC2=C(CN1)C=CC(=C2)Cl
    InChIKey
    PDJZJYRZZSOTMF-UHFFFAOYSA-N
    InChI
    1S/C9H11ClN2/c10-8-2-1-7-6-11-3-4-12-9(7)5-8/h1-2,5,11-12H,3-4,6H2
    Synonyms
    2-(Aminomethyl)-4-methyl-5(4H)-oxazolone | AKOS006287257 | AS-37262 | Q-102429 | 8-chloro-2,3,4,5-tetrahydro-1H-1,4-b...
  8. 8-Chloro-5-methoxy-2-methylquinolin-4-ol
    CAS: 1206-62-8 PubChem CID: 45599440 Formula: C11H10ClNO2 Molecular Weight: 223.66
    ● In Stock — US Item #: C344889
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    Technical Identifiers
    IUPAC Name
    8-chloro-5-methoxy-2-methyl-1H-quinolin-4-one
    SMILES
    CC1=CC(=O)C2=C(C=CC(=C2N1)Cl)OC
    InChIKey
    WQKSTGUXOLWBPE-UHFFFAOYSA-N
    InChI
    1S/C11H10ClNO2/c1-6-5-8(14)10-9(15-2)4-3-7(12)11(10)13-6/h3-5H,1-2H3,(H,13,14)
    Synonyms
    MFCD12675058 | AKOS006042006 | DTXSID40670983 | 8-Chloro-4-hydroxy-5-methoxy-2-methylquinoline | 8-Chloro-5-methoxy-2...
  9. 8-Chloro-5-methoxyquinolin-4-ol
    CAS: 63010-43-5 Formula: C10H8ClNO2 Molecular Weight: 209.63
    ● In Stock — US Item #: C344852
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    Technical Identifiers
    IUPAC Name
    8-chloro-5-methoxy-1H-quinolin-4-one
    SMILES
    COC1=C2C(=O)C=CNC2=C(C=C1)Cl
    InChIKey
    NVAUPUJRLGTTQI-UHFFFAOYSA-N
    InChI
    1S/C10H8ClNO2/c1-14-8-3-2-6(11)10-9(8)7(13)4-5-12-10/h2-5H,1H3,(H,12,13)
    Synonyms
    AKOS010899803 | MFCD12675018 | 8-Chloro-5-methoxyquinolin-4-ol | F73810 | 8-Chloro-5-methoxy-1H-quinolin-4-one | 5-me...
  10. 8-Chloro-6-methyl-2-propyl-4-quinolinol
    CAS: 1070880-14-6 PubChem CID: 39346206 Formula: C13H14ClNO Molecular Weight: 235.71
    ● In Stock — US Item #: C344049
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    Technical Identifiers
    IUPAC Name
    8-chloro-6-methyl-2-propyl-1H-quinolin-4-one
    SMILES
    CCCC1=CC(=O)C2=C(N1)C(=CC(=C2)C)Cl
    InChIKey
    IKBKNEJXIKNURO-UHFFFAOYSA-N
    InChI
    1S/C13H14ClNO/c1-3-4-9-7-12(16)10-5-8(2)6-11(14)13(10)15-9/h5-7H,3-4H2,1-2H3,(H,15,16)
    Synonyms
    8-chloro-6-methyl-2-propylquinolin-4-ol | MFCD11505273 | DTXSID40653756 | F84770 | 8-Chloro-6-methyl-2-propyl-4-quino...
  11. Allyl 2,3-di-O-benzyl-b-D-glucopyranoside
    CAS: 84218-68-8 PubChem CID: 11058460 Formula: C23H28O6 Molecular Weight: 400.46
    ● In Stock — US Item #: A354252
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    IUPAC Name
    (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxan-3-ol
    SMILES
    C=CCOC1C(C(C(C(O1)CO)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
    InChIKey
    XPNQNMXIMFZLNP-XNBWIAOKSA-N
    InChI
    1S/C23H28O6/c1-2-13-26-23-22(28-16-18-11-7-4-8-12-18)21(20(25)19(14-24)29-23)27-15-17-9-5-3-6-10-17/h2-12,19-25H,1,13-16H2/t19-,20-,21+,22-,23-/m1/s1
    Synonyms
    (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxan-3-ol | Allyl-2,3-di-O-benzyl-beta-D-gluc...
  12. 8-Chloroguanosine
    CAS: 2104-68-9 PubChem CID: 135600340 Formula: C10H12ClN5O5 Molecular Weight: 317.69
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    ◐ .Made to order · 8–12 wks Item #: C344886
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    IUPAC Name
    2-amino-8-chloro-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
    SMILES
    C(C1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)N=C2Cl)O)O)O
    InChIKey
    KZEYUNCYYKKCIX-UMMCILCDSA-N
    InChI
    1S/C10H12ClN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m1/s1
    Synonyms
    8-Chloroguanosine | SCHEMBL546751 | Guanosine,8-chloro- | 2-Amino-8-chloro-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxym...
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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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