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).

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. (R)-Ethyl piperidine-3-carboxylate
    CAS: 25137-01-3 EC Number: 607-565-8 Formula: C8H15NO2 Molecular Weight: 157.21
    Liquid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: E119068
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    Technical Identifiers
    IUPAC Name
    ethyl (3R)-piperidine-3-carboxylate
    SMILES
    CCOC(=O)C1CCCNC1
    InChIKey
    XIWBSOUNZWSFKU-SSDOTTSWSA-N
    InChI
    1S/C8H15NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3/t7-/m1/s1
    Synonyms
    AC-6183 | (R)-(-)-nipecotic acid, ethyl ester | Piperidinecarboxylic acid, ethyl ester, (3R)- | (R)-3-PIPERIDINECARBO...
  2. (±)-α-Methyl-(4-carboxyphenyl)glycine
    CAS: 146669-29-6 Formula: C10H11NO4 Molecular Weight: 209.2
    ● In Stock — US warehouse, ships to EU* Item #: M274690
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    IUPAC Name
    4-(1-amino-1-carboxyethyl)benzoic acid
    SMILES
    CC(C1=CC=C(C=C1)C(=O)O)(C(=O)O)N
    InChIKey
    DNCAZYRLRMTVSF-UHFFFAOYSA-N
    InChI
    1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)
    Synonyms
    AKOS005066801 | ( inverted question mark)-MCPG | ( inverted exclamation markA)-MCPG | (RS)-.ALPHA.-METHYL-4-CARBOXYPH...
  3. des-Gln14-Ghrelin (rat) TFA
    CAS: 293735-04-3(free) Formula: C144H238N43O42F3 Molecular Weight: 3300.67
    ● In Stock — US warehouse, ships to EU* Item #: D295032
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    Synonyms
    (4S,5Z,7S,8Z,10S,11Z,13S,14Z,16S,17Z,19S,20Z,22S,23Z,25S,26Z,28S)-25-((1H-imidazol-5-yl)methyl)-4-((Z)-(((S,Z)-1-(((S...
  4. [bAla8]-Neurokinin A(4-10)
    CAS: 122063-01-8 PubChem CID: 9987795 Formula: C35H56N8O10S Molecular Weight: 780.93
    ● In Stock — US warehouse, ships to EU* Item #: B286633
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    IUPAC Name
    (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxoprshow more
    SMILES
    CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CCNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(=O)O)N
    InChIKey
    CKNPSJOMUQBPLA-WTWMNNMUSA-N
    InChI
    1S/C35H56N8O10S/c1-19(2)15-24(32(50)40-23(30(37)48)12-14-54-5)39-27(45)11-13-38-35(53)29(20(3)4)43-33(51)25(16-21-9-7-6-8-10-21)41-34(52)26(18-44)42-3show more
    Synonyms
    MEN 10210 | [beta-Ala8] Neurokinin A (4-10) | (5S,8R,15S,18R,21S,24S)-24-amino-18-benzyl-5-carbamoyl-21-(hydroxymethy...
  5. 2-(2-Methoxyphenoxy)-1-(4-methoxyphenyl)ethanone
    CAS: 19513-80-5 Formula: C16H16O4 Molecular Weight: 272.3
    ● In Stock — US warehouse, ships to EU* Item #: M302672
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    Technical Identifiers
    IUPAC Name
    2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethanone
    SMILES
    COC1=CC=C(C=C1)C(=O)COC2=CC=CC=C2OC
    InChIKey
    XZENRLBGEKSCQB-UHFFFAOYSA-N
    InChI
    1S/C16H16O4/c1-18-13-9-7-12(8-10-13)14(17)11-20-16-6-4-3-5-15(16)19-2/h3-10H,11H2,1-2H3
    Synonyms
    A925136 | 4'-METHOXY-2-(2-METHOXYPHENOXY)ACETOPHENONE | 2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethan-1-one | Enamine...
  6. (S)-10-Hydroxycamptothecin
    CAS: 19685-09-7 Formula: C20H16N2O5 Molecular Weight: 364.35
    ● In Stock — US warehouse, ships to EU* Item #: H196266
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    IUPAC Name
    (19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
    SMILES
    CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O
    InChIKey
    HAWSQZCWOQZXHI-FQEVSTJZSA-N
    InChI
    1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1
    Synonyms
    4-Ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione | 4-Ethyl-4,9-dihydroxy-1,12-...
  7. 4'-Methyl-[2,2'-bipyridine]-4-carboxylic acid
    CAS: 103946-54-9 Formula: C12H10N2O2 Molecular Weight: 214.22
    ● In Stock — US warehouse, ships to EU* Item #: M302125
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    IUPAC Name
    2-(4-methylpyridin-2-yl)pyridine-4-carboxylic acid
    SMILES
    CC1=CC(=NC=C1)C2=NC=CC(=C2)C(=O)O
    InChIKey
    LEJWPWXRHHUDRH-UHFFFAOYSA-N
    InChI
    1S/C12H10N2O2/c1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11/h2-7H,1H3,(H,15,16)
    Synonyms
    AKOS015901721 | LEJWPWXRHHUDRH-UHFFFAOYSA-N | 4-Methyl-22-bipyridine-4-carboxylic acid | AC-8999 | bpy-COOH | 4'-meth...
  8. Palmitoyl tripeptide-5 biTFA
    CAS: 623172-56-5 PubChem CID: 46871119 Formula: C37H67F6N5O9 Molecular Weight: 839.95
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: S304179
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    Technical Identifiers
    IUPAC Name
    (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid;2,2,2-trifluoroacetic acid
    SMILES
    CCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
    InChIKey
    FKCOHLNFINRFFR-RROPMPDHSA-N
    InChI
    1S/C33H65N5O5.2C2HF3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29(39)36-27(21-17-19-24-34)31(40)38-30(26(2)3)32(41)37-28(33(42)43)22-18-20-25-35;2*3-2(show more
    Synonyms
    4IV5XO4TGK | DS-11735 | Palmtioyl Tripeptide-5 | AC-31941 | DTXSID10211382 | Palmitoyl tripeptide-5 bistrifluoracetat...
  9. Sulforaphene
    CAS: 592-95-0 EC Number: 889-720-1 PubChem CID: 6433206 Formula: C6H9NOS2 Molecular Weight: 175.27
    Liquid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: S276444
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    Technical Identifiers
    IUPAC Name
    (E)-4-isothiocyanato-1-methylsulfinylbut-1-ene
    SMILES
    CS(=O)C=CCCN=C=S
    InChIKey
    QKGJFQMGPDVOQE-HWKANZROSA-N
    InChI
    1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3/b5-3+
    Synonyms
    Sulforaphen | 4-Isothiocyanato-1-(methylsulfinyl)-1-butene | ISOTHIOCYANIC ACID, 4-(METHYLSULFINYL)-3-BUTENYL ESTER |...
  10. (S)-Tedizolid
    CAS: 1431699-67-0 PubChem CID: 71576658 Formula: C17H15FN6O3 Molecular Weight: 370.34
    ◐ .Made to order · 8–12 wks Item #: T126568
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    Technical Identifiers
    IUPAC Name
    (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)pyridin-3-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
    SMILES
    CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4CC(OC4=O)CO)F
    InChIKey
    XFALPSLJIHVRKE-LBPRGKRZSA-N
    InChI
    1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m0/s1
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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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