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).
By Target / Pathway / Disease
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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
Ligand families
24,635Navigate 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
2,814PROTAC 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.
By Signaling Pathways
102,623Explore 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.
By Target (DTO)
19,695Find 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.
By Disease (DOID)
8,779Shop 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.
Products
- Stearyl Trimethyl Ammoium bromideSolid ≥98%● In Stock — Germany Item #: S105315View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- trimethyl(octadecyl)azanium;bromide
- SMILES
- CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
- InChIKey
- SZEMGTQCPRNXEG-UHFFFAOYSA-M
- InChI
- 1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
- Synonyms
- N,N,N-TRIMETHYL-1-OCTADECANAMINIUM BROMIDE | Q27274803 | W-108661 | OTAB | UNII-BPW1DD4IZ8 | 1-Octadecanaminium, N,N,...
- Halcinonide, Glucocorticoid receptor agonist● In Stock — US warehouse, ships to EU* Item #: H303403View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1(OC2CC3C4CCC5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CCl)C)O)F)C)C
- InChIKey
- MUQNGPZZQDCDFT-JNQJZLCISA-N
- InChI
- show more
- Synonyms
- (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-6b-(chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a...
- Indatraline hydrochloride◐ .Made to order · 8–12 wks Item #: I287034View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
- SMILES
- CNC1CC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl
- InChIKey
- QICQDZXGZOVTEF-MELYUZJYSA-N
- InChI
- 1S/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H/t13-,16+;/m0./s1
- Synonyms
- (1r,3s)-indatraline hydrochloride | CAS-96850-13-4 | MLS001423997 | NCGC00261369-01 | SR-01000075409-1 | (1R,3S)-rel-...
- H-Pro-Hyp-OHCAS: 18684-24-7 Formula: C10H16N2O4 Molecular Weight: 228.25Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: H332495View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,4R)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
- SMILES
- C1CC(NC1)C(=O)N2CC(CC2C(=O)O)O
- InChIKey
- ONPXCLZMBSJLSP-CSMHCCOUSA-N
- InChI
- 1S/C10H16N2O4/c13-6-4-8(10(15)16)12(5-6)9(14)7-2-1-3-11-7/h6-8,11,13H,1-5H2,(H,15,16)/t6-,7+,8+/m1/s1
- Synonyms
- Pro-Hyp | Pro-Hyp-OH | L-Prolyl-L-hydroxyproline | Q27105024 | ONPXCLZMBSJLSP-CSMHCCOUSA-N | (2S,4R)-1-(L-prolyl)-4-h...
- Eplivanserin hemifumarate◐ .Made to order · 8–12 wks Item #: E288211View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-but-2-enedioic acid;4-[(E,3Z)-3-[2-(dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol
- SMILES
- CN(C)CCON=C(C=CC1=CC=C(C=C1)O)C2=CC=CC=C2F.CN(C)CCON=C(C=CC1=CC=C(C=C1)O)C2=CC=CC=C2F.C(=CC(=O)O)C(=O)O
- InChIKey
- RNLKLYQQDLHHBH-ABDBJYMXSA-N
- InChI
- show more
- Synonyms
- BT8UYC46KA | SR 46349 | Eplivanserinhemifumarate | Eplivanserin fumarate [USAN] | SR46349B | SR-46349B | SR 46349B | ...
- H-gamma-D-Glu-Trp-OHCAS: 229305-39-9 Formula: C16H19N3O5 Molecular Weight: 333.34◐ .Made to order · 8–12 wks Item #: H353449View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
- SMILES
- C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCC(C(=O)O)N
- InChIKey
- CATMPQFFVNKDEY-YPMHNXCESA-N
- InChI
- show more
- Synonyms
- (2R)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid | CATMPQFFVNKDEY-YPMHNXCESA-N | H-D...
- HSP-990CAS: 934343-74-5 Formula: C20H18FN5O2 Molecular Weight: 379.39● In Stock — US warehouse, ships to EU* Item #: H339326View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
- SMILES
- CC1=C2C(=NC(=N1)N)CC(NC2=O)C3=C(C=C(C=C3)F)C4=NC(=CC=C4)OC
- InChIKey
- WSMQUUGTQYPVPD-OAHLLOKOSA-N
- InChI
- show more
- Synonyms
- (7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one | UNII...
- Stichodactyla Toxin◐ .Made to order · 8–12 wks Item #: S274633View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- show more
- InChIKey
- GVRGDWHECZKHIP-ZAGUEAMVSA-N
- InChI
- show more
- Synonyms
- ShK
- Iodophenpropit dihydrobromide◐ .Made to order · 8–12 wks Item #: I287222View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate;dihydrobromide
- SMILES
- C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I.Br.Br
- InChIKey
- BOSOGNBLIWPCMS-UHFFFAOYSA-N
- InChI
- 1S/C15H19IN4S.2BrH/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14;;/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20);2*1H
- Synonyms
- N-[2-(4-Iodophenyl)ethyl]-S-[3-(4(5)-imidazolyl)propyl]isothiourea dihydrobromide
- Iopromide, Diagnostic agentCAS: 73334-07-3 Formula: C18H24I3N3O8 Molecular Weight: 791.11● In Stock — US warehouse, ships to EU* Item #: I304509View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-3-N-methylbenzene-1,3-dicarboxamide
- SMILES
- CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I
- InChIKey
- DGAIEPBNLOQYER-UHFFFAOYSA-N
- InChI
- 1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)
- Synonyms
- AKOS025402129 | IOPROMIDE [WHO-DD] | 1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-((methox...
- HU-331CAS: 137252-25-6 EC Number: 844-777-1 PubChem CID: 11393311 Formula: C21H28O3 Molecular Weight: 328.45◐ .Made to order · 8–12 wks Item #: H276258View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylcyclohexa-2,5-diene-1,4-dione
- SMILES
- CCCCCC1=CC(=O)C(=C(C1=O)O)C2C=C(CCC2C(=C)C)C
- InChIKey
- WDXXEUARVHTWQF-DLBZAZTESA-N
- InChI
- 1S/C21H28O3/c1-5-6-7-8-15-12-18(22)19(21(24)20(15)23)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,24H,2,5-10H2,1,3-4H3/t16-,17+/m0/s1
- Synonyms
- DTXSID10929758 | Cannabidiol hydroxyquinone (CBDHQ) 100 microg/mL in Acetonitrile | SR-01000946715-1 | BDBM50541572 |...
- Erlotinib HCl (OSI-744), Epidermal growth factor receptor erbB1 inhibitorSolid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%● In Stock — US warehouse, ships to EU* Item #: E129310View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
- SMILES
- COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl
- InChIKey
- GTTBEUCJPZQMDZ-UHFFFAOYSA-N
- InChI
- 1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H
- Synonyms
- HCl, Erlotinib | KS-1202 | CP-358,774-01 | ERLOTINIB HYDROCHLORIDE [MI] | N-(3-ETHENYLPHENYL)-6,7-BIS(2-METHOXYETHOXY...
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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.