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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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

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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. Calcium DL-malate hydrate
    CAS: 17482-42-7 EC Number: 241-498-1 Formula: C4H4O5Ca(free) Molecular Weight: 172.14(free)
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C305183
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    Technical Identifiers
    IUPAC Name
    calcium;2-hydroxybutanedioate
    SMILES
    C(C(C(=O)[O-])O)C(=O)[O-].[Ca+2]
    InChIKey
    OLOZVPHKXALCRI-UHFFFAOYSA-L
    InChI
    1S/C4H6O5.Ca/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+2/p-2
    Synonyms
    UNII-D48OP746DW | CALCIUM MALATE [WHO-DD] | CalciumMalate21per cent | Butanedioic acid, hydroxy-, calcium salt (1:1) ...
  2. Calcium tin oxide
    CAS: 12013-46-6 Formula: CaO3Sn Molecular Weight: 206.77
    ● In Stock — US warehouse, ships to EU* Item #: C348946
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    Technical Identifiers
    IUPAC Name
    calcium;dioxido(oxo)tin
    SMILES
    [O-][Sn](=O)[O-].[Ca+2]
    InChIKey
    HNQGTZYKXIXXST-UHFFFAOYSA-N
    InChI
    1S/Ca.3O.Sn/q+2;;2*-1;
    Synonyms
    EINECS 234-585-0 | Calciumstannate | Calcium stannate | EC 234-585-0 | calcium;dioxido(oxo)tin | Calcium tin trioxide...
  3. Calcifediol
    CAS: 19356-17-3 EC Number: 242-990-9 Formula: C27H44O2 Molecular Weight: 400.64
    Liquid 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 #: C408188
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    Synonyms
    Calcidiol, Didrogyl, Hidroferol, 25-hydroxyvitamin D3, 25-Hydroxycholecalciferol | (S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((R...
  4. Calcium Levofolinate
    CAS: 80433-71-2 EC Number: 801-530-2 Formula: C20H21N7O7.Ca Molecular Weight: 511.5
    10mM in Water
    ● In Stock — US warehouse, ships to EU* Item #: C426083
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    Technical Identifiers
    IUPAC Name
    calcium;(2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate
    SMILES
    C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ca+2]
    InChIKey
    KVUAALJSMIVURS-QNTKWALQSA-L
    InChI
    1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,show more
    Synonyms
    Calcium levofolinate (INN) | MFCD08704249 | L-Glutamic acid, N-(4-(((2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-p...
  5. Calycosin-7-O-beta-D-glucoside
    CAS: 20633-67-4 Formula: C22H22O10 Molecular Weight: 446.40
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C422506
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    IUPAC Name
    3-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    SMILES
    COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O
    InChIKey
    WACBUPFEGWUGPB-MIUGBVLSSA-N
    InChI
    1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,1show more
    Synonyms
    CALYCOSIN-7-O-B-D-GLUCOSIDE | 3-(3-hydroxy-4-methoxyphenyl)-7-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)te...
  6. Camalexin
    CAS: 135531-86-1 EC Number: 808-542-7 Formula: C11H8N2S Molecular Weight: 200.26
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C412537
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    IUPAC Name
    2-(1H-indol-3-yl)-1,3-thiazole
    SMILES
    C1=CC=C2C(=C1)C(=CN2)C3=NC=CS3
    InChIKey
    IYODIJVWGPRBGQ-UHFFFAOYSA-N
    InChI
    1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H
    Synonyms
    AS-16652 | Q19903715 | 1H-indole, 3-(2-thiazolyl)- | QY3Z69LA99 | 3-thiazol-2'-yl-indole | 3-(thiazol-2-yl)indole | A...
  7. Calcium glycinate
    CAS: 35947-07-0 Formula: C4H8CaN2O4 Molecular Weight: 188.2
    ● In Stock — Germany Item #: C303536
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    Technical Identifiers
    IUPAC Name
    calcium;2-aminoacetate
    SMILES
    C(C(=O)[O-])N.C(C(=O)[O-])N.[Ca+2]
    InChIKey
    OFNJDDJDXNMTHZ-UHFFFAOYSA-L
    InChI
    1S/2C2H5NO2.Ca/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2
    Synonyms
    Calcium glycinate|35947-07-0|calcium bisglycinate|calcium;2-aminoacetate|Calcium glycinate (1:2)|Glycine, Calcium Sal...
  8. Calcium glycolate
    CAS: 26257-13-6 Formula: C4H6CaO6 Molecular Weight: 190.16
    ● In Stock — US warehouse, ships to EU* Item #: C347797
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    Technical Identifiers
    IUPAC Name
    calcium;2-hydroxyacetate
    SMILES
    C(C(=O)[O-])O.C(C(=O)[O-])O.[Ca+2]
    InChIKey
    CHRHZFQUDFAQEQ-UHFFFAOYSA-L
    InChI
    1S/2C2H4O3.Ca/c2*3-1-2(4)5;/h2*3H,1H2,(H,4,5);/q;;+2/p-2
    Synonyms
    Calcium glycolate | calcium bis(2-hydroxyacetate) | NSC 220251 | DTXSID50890534 | 9W192E4Y74 | G0200 | UNII-9W192E4Y7...
  9. Calcium ionophore II
    CAS: 74267-27-9 Formula: C28H48N2O3 Molecular Weight: 460.69
    ● In Stock — US warehouse, ships to EU* Item #: C346976
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    IUPAC Name
    N,N-dicyclohexyl-2-[2-(dicyclohexylamino)-2-oxoethoxy]acetamide
    SMILES
    C1CCC(CC1)N(C2CCCCC2)C(=O)COCC(=O)N(C3CCCCC3)C4CCCCC4
    InChIKey
    URAUKAJXWWFQSU-UHFFFAOYSA-N
    InChI
    1S/C28H48N2O3/c31-27(29(23-13-5-1-6-14-23)24-15-7-2-8-16-24)21-33-22-28(32)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h23-26H,1-22H2
    Synonyms
    SCHEMBL701404 | Eth-129 | Calcium ionophore II, Selectophore(TM), function tested | AKOS032947893 | N,N-Dicyclohexyl-...
  10. Calcium ionophore IV
    CAS: 126572-74-5 Formula: C52H100N2O3 Molecular Weight: 801.36
    ● In Stock — US warehouse, ships to EU* Item #: C355638
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    Technical Identifiers
    IUPAC Name
    2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide
    SMILES
    CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCC(=O)N(C1CCCCC1)C2CCCCC2
    InChIKey
    CLLKVTAGSOWKHA-UHFFFAOYSA-N
    InChI
    1S/C52H100N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-45-53(46-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)51(55)47-57-48-52(56)54(49-41-35show more
    Synonyms
    CLLKVTAGSOWKHA-UHFFFAOYSA-N | Calcium ionophore IV | J-005399 | 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecyl...
  11. Calcium Gluceptate
    CAS: 29039-00-7 PubChem CID: 62859 Formula: C14H26CaO16 Molecular Weight: 490.42
    ◐ .Made to order · 8–12 wks Item #: C347197
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    Technical Identifiers
    IUPAC Name
    calcium;(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
    SMILES
    C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.[Ca+2]
    InChIKey
    FATUQANACHZLRT-KMRXSBRUSA-L
    InChI
    1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1
    Synonyms
    UNII-L11651398J | Calcihept | calcium bis[(2xi)-D-glycero-D-ido-heptonate] | Calcium gluceptate (USP) | CALCIUM GLUCO...
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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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