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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Ligand families
24,672Navigate 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
102,686Explore 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)
19,733Find 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)
8,799Shop 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.
Popular Products
- 1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one● In Stock — US warehouse, ships to EU* Item #: P337769View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
- SMILES
- C1CNCCC12C(=O)NCN2C3=CC=CC=C3
- InChIKey
- HTQWGIHCFPWKAS-UHFFFAOYSA-N
- InChI
- 1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17)
- Synonyms
- 1-Phenyl-1,3,8-triazaspiro(4,5)decan-4-one | AKOS005067461 | Direct Black BH | EN300-15316 | CCG-275144 | MFCD0000597...
- Mabuterol-D9CAS: 1246819-58-8 Formula: C13H9D9ClF3N2O Molecular Weight: 319.80◐ .Made to order · 8–12 wks Item #: M266119View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]ethanol
- SMILES
- CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O
- InChIKey
- JSJCTEKTBOKRST-GQALSZNTSA-N
- InChI
- 1S/C13H18ClF3N2O/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7/h4-5,10,19-20H,6,18H2,1-3H3/i1D3,2D3,3D3
- Synonyms
- JSJCTEKTBOKRST-GQALSZNTSA-N | Ambuterol-d9 | HY-13338S | 1246819-58-8 | Mabuterol-d9 | 1-[4-amino-3-chloro-5-(trifluo...
- 10-Chloro CarbamazepineCAS: 59690-92-5 Formula: C15H11ClN2O Molecular Weight: 270.71◐ .Made to order · 8–12 wks Item #: C357701View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-chlorobenzo[b][1]benzazepine-11-carboxamide
- SMILES
- C1=CC=C2C(=C1)C=C(C3=CC=CC=C3N2C(=O)N)Cl
- InChIKey
- HQXOFJNTUXHWMC-UHFFFAOYSA-N
- InChI
- 1S/C15H11ClN2O/c16-12-9-10-5-1-3-7-13(10)18(15(17)19)14-8-4-2-6-11(12)14/h1-9H,(H2,17,19)
- Synonyms
- SCHEMBL3379419 | 10-Chloro Carbamazepine | 5-Chlorobenzo[b][1]benzazepine-11-carboxamide | DTXSID201034472
- (3R,5S)-Atorvastatin Sodium SaltCAS: 131275-93-9 Formula: C33H34FN2NaO5 Molecular Weight: 580.62◐ .Made to order · 8–12 wks Item #: A339013View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;(3R,5S)-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.[Na+]
- InChIKey
- VVRPOCPLIUDBSA-MFHXMFJOSA-M
- InChI
- show more
- Synonyms
- J-005971 | (3R,5S)-Atorvastatin (sodium) | Atorvastatin 10-Trans (Atorvastatin Impurity AT10) | DTXSID80675639 | (3R,...
- FluvastatinCAS: 155229-76-8 Formula: C24H26FNO4 Molecular Weight: 411.47Solid 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 #: S339020View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E,3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid
- SMILES
- CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F
- InChIKey
- FJLGEFLZQAZZCD-JUFISIKESA-N
- InChI
- show more
- Synonyms
- (3S,5R)-(-)-fluvastatin | (3S,5R,6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid ...
- (3S,5S)-Atorvastatin Sodium Salt◐ .Made to order · 8–12 wks Item #: S339109View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
- 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
- InChIKey
- XUKUURHRXDUEBC-SVBPBHIXSA-N
- InChI
- show more
- Synonyms
- (1betaR,deltaR)-2-(p-Fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoic a...
- Gingerenone ACAS: 128700-97-0 Formula: C21H24O5 Molecular Weight: 356.41● In Stock — US warehouse, ships to EU* Item #: G355262View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
- SMILES
- COC1=C(C=CC(=C1)CCC=CC(=O)CCC2=CC(=C(C=C2)O)OC)O
- InChIKey
- FWDXZNKYDTXGOT-GQCTYLIASA-N
- InChI
- 1S/C21H24O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h4,6,8-9,11-14,23-24H,3,5,7,10H2,1-2H3/b6-4+
- Synonyms
- FWDXZNKYDTXGOT-GQCTYLIASA-N | (E)-Gingerenone A | DTXSID50873741 | HY-120912 | (4E)-1,7-bis(4-hydroxy-3-methoxyphenyl...
- Glufosfamide, DNA disrupting agentCAS: 132682-98-5 Formula: C10H21Cl2N2O7P Molecular Weight: 383.16● In Stock — US warehouse, ships to EU* Item #: G355086View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3R,4S,5S,6R)-2-bis(2-chloroethylamino)phosphoryloxy-6-(hydroxymethyl)oxane-3,4,5-triol
- SMILES
- C(CCl)NP(=O)(NCCCl)OC1C(C(C(C(O1)CO)O)O)O
- InChIKey
- PSVUJBVBCOISSP-SPFKKGSWSA-N
- InChI
- 1S/C10H21Cl2N2O7P/c11-1-3-13-22(19,14-4-2-12)21-10-9(18)8(17)7(16)6(5-15)20-10/h6-10,15-18H,1-5H2,(H2,13,14,19)/t6-,7-,8+,9-,10+/m1/s1
- Synonyms
- beta-D-Glucopyranose, 1-[N,N'-bis(2-chloroethyl)phosphorodiamidate] | glc-IPM | .BETA.-D-GLUCOPYRANOSE, 1-(N,N'-BIS(2...
- 1H-Pyrazole-5-carboxaldehydeCAS: 948552-36-1 Formula: C4H4N2O Molecular Weight: 96.09◐ .Made to order · 8–12 wks Item #: H305023View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1H-pyrazole-5-carbaldehyde
- SMILES
- C1=C(NN=C1)C=O
- InChIKey
- ICFGFAUMBISMLR-UHFFFAOYSA-N
- InChI
- 1S/C4H4N2O/c7-3-4-1-2-5-6-4/h1-3H,(H,5,6)
- Synonyms
- 3-formylpyrazole | O10411 | pyrazol-3-carboxaldehyde | Z234896951 | 1H-Pyrazole-5-carbaldehyde, AldrichCPR | AKOS0051...
- (R)-FangchinolineCAS: 33889-68-8 Formula: C37H40N2O6 Molecular Weight: 608.71Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. 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 #: F110200View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC
- InChIKey
- IIQSJHUEZBTSAT-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- SCHEMBL19236300 | Frangchinoline | B2703-465545 | THALRUGOSINE | Fangchinoline | BCP26186 | NSC277171 | NSC-277171 | ...
- (trans-2-(p-tolyl)cyclopropyl)methanolCAS: 114095-61-3 Formula: C11H14O Molecular Weight: 162.23◐ .Made to order · 8–12 wks Item #: T302236View ProductPricing & Pack Sizes
Technical Identifiers
- 1,1,3,3-Tetrachloroacetone◐ .Made to order · 8–12 wks Item #: T340683View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,1,3,3-tetrachloropropan-2-one
- SMILES
- C(C(=O)C(Cl)Cl)(Cl)Cl
- InChIKey
- DJWVKJAGMVZYFP-UHFFFAOYSA-N
- InChI
- 1S/C3H2Cl4O/c4-2(5)1(8)3(6)7/h2-3H
- Synonyms
- UNII-J7R42FF17P | 2-Propanone, 1,1,3,3-tetrachloro- | SCHEMBL985627 | Tetrachloroacetone | AKOS006283789 | DJWVKJAGMV...
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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.