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
24,653Navigate 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
102,665Explore 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)
19,717Find 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)
8,793Shop 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
- Olomoucine IICAS: 500735-47-7 Formula: C19H26N6O2 Molecular Weight: 370.45Solid 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 #: O276007View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[[2-(1-hydroxybutan-2-ylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]phenol
- SMILES
- CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3O
- InChIKey
- NDUVSANREQEDRE-UHFFFAOYSA-N
- InChI
- 1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)
- Synonyms
- 2-[[[2-(1-hydroxybutan-2-ylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]phenol | 2-[[[2-(1-hydroxybutan-2-ylamino)-9-p...
- OlprinoneCAS: 106730-54-5 Formula: C14H10N4O Molecular Weight: 250.26Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: O126405View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
- SMILES
- CC1=C(C=C(C(=O)N1)C#N)C2=CN3C=CN=C3C=C2
- InChIKey
- JPAWFIIYTJQOKW-UHFFFAOYSA-N
- InChI
- 1S/C14H10N4O/c1-9-12(6-11(7-15)14(19)17-9)10-2-3-13-16-4-5-18(13)8-10/h2-6,8H,1H3,(H,17,19)
- Synonyms
- SCHEMBL27661 | BCP09781 | LOPRINONE [MI] | NCGC00162385-01 | s5539 | 1,2-DIHYDRO-5-IMIDAZO(1,2-.ALPHA.)PYRIDIN-6-YL-6...
- Gavestinel● In Stock — US warehouse, ships to EU* Item #: G288071View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;3-[(E)-3-anilino-3-oxoprop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylate
- SMILES
- C1=CC=C(C=C1)NC(=O)C=CC2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)[O-].[Na+]
- InChIKey
- GRSDSTMFQHAESM-UHDJGPCESA-M
- InChI
- 1S/C18H12Cl2N2O3.Na/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11;/h1-9,22H,(H,21,23)(H,24,25);/q;+1/p-1/b7-6+;
- Synonyms
- HMS3413I04 | 4,6-Dichloro-3-((E)-2-phenylcarbamoyl-vinyl)-1H-indole-2-carboxylic acid sodium salt | SCHEMBL36767 | Ga...
- SW 033291● In Stock — US warehouse, ships to EU* Item #: S288218View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
- SMILES
- CCCCS(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=CC=C3)C4=CC=CS4)N
- InChIKey
- LCYAYKSMOVLVRL-UHFFFAOYSA-N
- InChI
- 1S/C21H20N2OS3/c1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17/h4-11,13H,2-3,12,22H2,1H3
- Synonyms
- NSC787269 | s7900 | SB19146 | SCHEMBL15525569 | 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine ...
- Sacubitril calcium● In Stock — US warehouse, ships to EU* Item #: S288144View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- calcium;4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate
- SMILES
- CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].[Ca+2]
- InChIKey
- DDLCKLBRBPYKQS-OXXXZDCLSA-L
- InChI
- show more
- Synonyms
- DTXSID601032228 | (1,1'-BIPHENYL)-4-PENTANOIC ACID, .GAMMA.-((3-CARBOXY-1-OXOPROPYL)AMINO)-.ALPHA.-METHYL-, 4-ETHYL E...
- Ophiobolin AMoligand™ ? 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 warehouse, ships to EU* Item #: O329258View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1CC(OC12CCC3(C2CC=C(C4C(C3)C(CC4=O)(C)O)C=O)C)C=C(C)C
- InChIKey
- MWYYLZRWWNBROW-BDZRSQQBSA-N
- InChI
- show more
- Synonyms
- C09145 | (1'R,2S,3S,3'S,4'R,5R,7'S,8'E,11'R)-4'-hydroxy-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane...
- Optovin (mixture of isomers)CAS: 348575-88-2 Formula: C15H13N3OS2 Molecular Weight: 315.41● In Stock — US warehouse, ships to EU* Item #: O275640View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- SMILES
- CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)NC(=S)S3
- InChIKey
- YISGMOZSGOGYOU-NTUHNPAUSA-N
- InChI
- 1S/C15H13N3OS2/c1-9-6-11(7-13-14(19)17-15(20)21-13)10(2)18(9)12-4-3-5-16-8-12/h3-8H,1-2H3,(H,17,19,20)/b13-7+
- Synonyms
- (5E)-5-[(2,5-Dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | (E)-5-((2,5-dime...
- Salermide● In Stock — US warehouse, ships to EU* Item #: S287227View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide
- SMILES
- CC(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)N=CC3=C(C=CC4=CC=CC=C43)O
- InChIKey
- HQSSEGBEYORUBY-UHFFFAOYSA-N
- InChI
- 1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)
- Synonyms
- BDBM50309827 | (E)-N-(3-((2-hydroxynaphthalen-1-yl)methyleneamino)phenyl)-2-phenylpropanamide | SCHEMBL8103931 | EX-A...
- Caspase-3/7 InhibitorCAS: 220509-74-0 Formula: C14H16N2O5S Molecular Weight: 324.35● In Stock — US warehouse, ships to EU* Item #: M274709View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
- SMILES
- COCC1CCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O
- InChIKey
- SLQMNVJNDYLJSF-VIFPVBQESA-N
- InChI
- 1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1
- Synonyms
- AKOS040744939 | HY-103346 | 5-[(S)-(+)-2-(Methoxymethyl)pyrrolidino]sulfonylisatin | DTXSID50431688 | Isatin Sulfonam...
- PD0332991 HClCAS: 827022-32-2 Formula: C24H29N7O2·HCl Molecular Weight: 483.99Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: E129959View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
- SMILES
- CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C.Cl
- InChIKey
- STEQOHNDWONVIF-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- FT-0700370 | Palbociclib (hydrochloride) | PD-0332991 hydrochloride | AKOS000120736 | Pyrido(2,3-d)pyrimidin-7(8H)-on...
- PD153035Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: P125741View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine
- SMILES
- COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC
- InChIKey
- LSPANGZZENHZNJ-UHFFFAOYSA-N
- InChI
- 1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
- Synonyms
- BRD-K26603252-001-01-9 | EX-A1235 | NSC 669364 | AM808088 | GI 230329A | PD 153035 - CAS 153436-54-5 | s6546 | InChI=...
- PF-670462Solid ≥98%(HPLC)● In Stock — US warehouse, ships to EU* Item #: P127947View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;dihydrochloride
- SMILES
- C1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F.Cl.Cl
- InChIKey
- PSNKGVAXBSAHCH-UHFFFAOYSA-N
- InChI
- 1S/C19H20FN5.2ClH/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15;;/h6-12,15H,1-5H2,(H2,21,22,24);2*1H
- Synonyms
- Q1964319 | PF670462/ PF-670462 | D68ANS5I8B | AKOS024457546 | PF 670462 | CHEBI:87236 | EX-A2193 | AS-73728 | BCP0430...
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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.
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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.