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).
Targets & Pathways
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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 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 to assemble or screen PROTAC designs, with clear identifiers for efficient selection.
By Signaling Pathways
102,620Explore 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 —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
- 3′-Methyl-[1,1′-biphenyl]-3-carbaldehydeCAS: 216443-78-6 Formula: C14H12O Molecular Weight: 196.24● In Stock — US Item #: M351805View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(3-methylphenyl)benzaldehyde
- SMILES
- CC1=CC(=CC=C1)C2=CC=CC(=C2)C=O
- InChIKey
- KAGSXBNQBKIILK-UHFFFAOYSA-N
- InChI
- 1S/C14H12O/c1-11-4-2-6-13(8-11)14-7-3-5-12(9-14)10-15/h2-10H,1H3
- Synonyms
- 3 inverted exclamation mark -Methylbiphenyl-3-carbaldehyde | AKOS004117519 | MFCD03424624 | S10608 | FT-0643990 | A81...
- (+/-)-N-3-BenzylnirvanolCAS: 93879-40-4 Formula: C18H18N2O2 Molecular Weight: 294.35● In Stock — US Item #: N341027View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
- SMILES
- CCC1(C(=O)N(C(=O)N1)CC2=CC=CC=C2)C3=CC=CC=C3
- InChIKey
- ZMZDHUHMXXALFX-UHFFFAOYSA-N
- InChI
- 1S/C18H18N2O2/c1-2-18(15-11-7-4-8-12-15)16(21)20(17(22)19-18)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,19,22)
- Synonyms
- 5-Ethyl-5-phenyl-3-(phenylmethyl)-2,4-imidazolidinedione | 3-Benzyl-5-ethyl-5-phenyl-hydantoin
- HeminCAS: 16009-13-5 EC Number: 240-140-1 PubChem CID: 455658 Formula: C34H32ClN4O4Fe Molecular Weight: 651.96Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%● In Stock — US Item #: H140872View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride
- SMILES
- CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3]
- InChIKey
- BTIJJDXEELBZFS-UHFFFAOYSA-K
- InChI
- show more
- Synonyms
- Panhematin | 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;i...
- n-Tetradecanamide● In Stock — US Item #: T304249View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tetradecanamide
- SMILES
- CCCCCCCCCCCCCC(=O)N
- InChIKey
- QEALYLRSRQDCRA-UHFFFAOYSA-N
- InChI
- 1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)
- Synonyms
- Tetradecanamide | Myristamide (6CI,7CI,8CI); Armid 14; Myristic acid amide; Myristic amide; NSC 66436 | Myristic acid...
- 5-Oxo-1,3-dioxolane-4,4-diacetic AcidCAS: 144-16-1 Formula: C7H8O7 Molecular Weight: 204.13● In Stock — US Item #: O339808View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
- SMILES
- C1OC(=O)C(O1)(CC(=O)O)CC(=O)O
- InChIKey
- PXPMCAKTYKAROX-UHFFFAOYSA-N
- InChI
- 1S/C7H8O7/c8-4(9)1-7(2-5(10)11)6(12)13-3-14-7/h1-3H2,(H,8,9)(H,10,11)
- Synonyms
- AKOS022505968 | .beta.-(Hydroxymethoxy) tricarballylic acid, .gamma.-lactone | UNII-99197U4E9K | EINECS 205-618-6 | A...
- Isepamicin sulfate● In Stock — US Item #: I339973View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)O)N)NC(=O)C(CN)O)O.OS(=O)(=O)O
- InChIKey
- DDXRHRXGIWOVDQ-MGAUJLSLSA-N
- InChI
- show more
- Synonyms
- D-STREPTAMINE, O-6-AMINO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-(3-DEOXY-4-C-METHYL-3-(METHYLAMINO)-.BETA.-L-ARABI...
- Alosetron Hydrochloride, Serotonin 3a (5-HT3a) receptor antagonistCAS: 122852-69-1 Formula: C17H19ClN4O Molecular Weight: 330.81● In Stock — US Item #: A135530View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one;hydrochloride
- SMILES
- CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl
- InChIKey
- FNYQZOVOVDSGJH-UHFFFAOYSA-N
- InChI
- 1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H
- Synonyms
- ALOSETRON HYDROCHLORIDE [MI] | GR 68755 (Hydrochloride(1:X));GR 68755X (Hydrochloride(1:X)) | MLS001401464 | DTXSID80...
- 7,7-Dimethyleicosadienoic acidCAS: 89560-01-0 Formula: C22H40O2 Molecular Weight: 336.55◐ .Made to order · 8–12 wks Item #: D275029View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid
- SMILES
- CCCCCCCCCCCC=CC(C)(C)C=CCCCC(=O)O
- InChIKey
- AGKRHAILCPYNFH-DUQSFWPASA-N
- InChI
- 1S/C22H40O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22(2,3)20-17-14-15-18-21(23)24/h16-17,19-20H,4-15,18H2,1-3H3,(H,23,24)/b19-16-,20-17-
- Synonyms
- 7,7-dimethyl-5Z,8Z-eicosadienoic acid | 7,7-Dimethyl-eda | BML3-B09 | BSPBio_001459 | SR-01000075833 | 5,8-Eicosadien...
- 1,18-dibromooctadecane◐ .Made to order · 8–12 wks Item #: D303422View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,18-dibromooctadecane
- SMILES
- C(CCCCCCCCCBr)CCCCCCCCBr
- InChIKey
- WXHAZAOZCQDUFE-UHFFFAOYSA-N
- InChI
- 1S/C18H36Br2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h1-18H2
- Synonyms
- 1,18-Dibromooctadecane|31772-06-2|SCHEMBL687165|DTXSID10404454|AMY37912|BS-51527|FT-0638991|F73867|3-[2-(DIETHYLAMINO...
- meso-Tetrakis(4-chlorophenyl)porphyrin-Cu(II)◐ .Made to order · 8–12 wks Item #: T305131View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- copper;5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide
- SMILES
- C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)C=C4)C9=CC=C(C=C9)Cl)[N-]3)Cl.[Cu+2]
- InChIKey
- VQAOAJVSUJOMBR-UHFFFAOYSA-N
- InChI
- show more
- Isoetharine mesylate salt, Beta-2 adrenergic receptor agonist● In Stock — US Item #: I332026View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;methanesulfonic acid
- SMILES
- CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C.CS(=O)(=O)O
- InChIKey
- SOYAGMVKMXZVNZ-UHFFFAOYSA-N
- InChI
- 1S/C13H21NO3.CH4O3S/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;1-5(2,3)4/h5-8,10,13-17H,4H2,1-3H3;1H3,(H,2,3,4)
- Synonyms
- 4-[1-HYDROXY-2-([1-METHYLETHYL]AMINO)BUTYL]-1,2-BENZENEDIOL METHANESULFONATE | MLS000069674 | HMS2097E20 | HMS3714E20...
- (-)-Bicuculline methobromideCAS: 73604-30-5 Formula: C21H20BrNO6 Molecular Weight: 462.296◐ .Made to order · 8–12 wks Item #: B275618View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-(6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one;bromide
- SMILES
- C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[Br-]
- InChIKey
- BWXCECYGGMGBHD-UHFFFAOYSA-M
- InChI
- show more
- Synonyms
- 6,6-Dimethyl-5-(8-oxo-6,8-dihydro-2H-furo[3,4-e][1,3]benzodioxol-6-yl)-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoqu...
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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.