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
Shop by category
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
102,621Explore 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)
19,694Find 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
- Iproniazid phosphateSolid ≥95%● In Stock — US warehouse, ships to EU* Item #: I413131View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide
- SMILES
- CC(C)NNC(=O)C1=CC=NC=C1.OP(=O)(O)O
- InChIKey
- YPDVTKJXVHYWFY-UHFFFAOYSA-N
- InChI
- 1S/C9H13N3O.H3O4P/c1-7(2)11-12-9(13)8-3-5-10-6-4-8;1-5(2,3)4/h3-7,11H,1-2H3,(H,12,13);(H3,1,2,3,4)
- Synonyms
- HMS3372C05 | SR-01000075585-5 | DTXSID20952815 | IPRONIAZID PHOSPHATE [MI] | NSC81850 | NSC-81850 | Iproniazid as pho...
- Irbesartan, Antagonist of AT 1 receptor;Inhibitor of Sodium/bile acid and sulphated solute cotransporter 1Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 2mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I421452View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
- SMILES
- CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
- InChIKey
- YOSHYTLCDANDAN-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- irbesartan|138402-11-6|Avapro|Aprovel|Karvea|SR-47436|BMS-186295|Irbesartan BMS|Irbesartan Zentiva|SR 47436|Sarbevel|...
- Irbesartan N-β-D-Glucuronide● In Stock — US warehouse, ships to EU* Item #: I356183View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-[5-[2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenyl]tetrazol-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
- SMILES
- CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN(N=N5)C6C(C(C(C(O6)C(=O)O)O)O)O
- InChIKey
- FVBDVTHTYLLSQE-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 1-[5-[4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)Methyl][1,1'-biphenyl]-2-yl]-2H-tetrazol-2-yl]-1-deoxy-β
- Irbesartan-d4CAS: 1216883-23-6 Formula: C25H24D4N6O Molecular Weight: 432.55◐ .Made to order · 8–12 wks Item #: I340626View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-butyl-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
- SMILES
- CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
- InChIKey
- YOSHYTLCDANDAN-WQKXEYJYSA-N
- InChI
- show more
- Synonyms
- AKOS040733462 | HY-B0202S | DTXSID00670085 | 2-butyl-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]m...
- Isepamicin sulfate10mM in Water● In Stock — US warehouse, ships to EU* Item #: I425406View 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
- isepamicin sulfate|Isepamicin sulphate|67814-76-0|Isepacin|Ispallin|Exacin|Isepamicin monosulfate|393574-17-9|Isepami...
- Irosustat (BN83495)◐ .Made to order · 8–12 wks Item #: I413518View ProductPricing & Pack Sizes
Technical Identifiers
- SMILES
- N[S](=O)(=O)OC1=CC=C2C3=C(CCCCC3)C(=O)OC2=C1
- Synonyms
- STX64
- IrsogladineCAS: 57381-26-7 Formula: C9H7Cl2N5 Molecular Weight: 256.092mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I424834View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
- SMILES
- C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl
- InChIKey
- ATCGGEJZONJOCL-UHFFFAOYSA-N
- InChI
- 1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)
- Synonyms
- 2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine | AS-11741 | cid_5282435 | Pharmakon1600-01502352 | Q15634081 | 6-(2,5-...
- IsaxonineCAS: 4214-72-6 Formula: C7H11N3 Molecular Weight: 137.18Liquid 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 warehouse, ships to EU* Item #: I340268View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-propan-2-ylpyrimidin-2-amine
- SMILES
- CC(C)NC1=NC=CC=N1
- InChIKey
- FTCYIGBVOHNHCD-UHFFFAOYSA-N
- InChI
- 1S/C7H11N3/c1-6(2)10-7-8-4-3-5-9-7/h3-6H,1-2H3,(H,8,9,10)
- Synonyms
- 883G6DMT63 | Metalozone | NSC760406 | NSC-760406 | F8881-7943 | 2-isopropylamino pyrimidine | ISAXONINE [MI] | N-prop...
- Iso-Butyl-2-MethylbutyrateLiquid ≥98%◐ .Made to order · 8–12 wks Item #: I303177View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-methylpropyl 2-methylbutanoate
- SMILES
- CCC(C)C(=O)OCC(C)C
- InChIKey
- NWZQCEQAPBRMFX-UHFFFAOYSA-N
- InChI
- 1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3
- Synonyms
- Butanoic acid, 2-methyl-, 2-methylpropyl ester | Isobutyl 2-methyIbutyrate | BUTANOIC ACID,2-METHYL-, 2-METHYLPROPYL ...
- Iso-H7 dihydrochloride● In Stock — US warehouse, ships to EU* Item #: I413492View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(3-methylpiperazin-1-yl)sulfonylisoquinoline;dihydrochloride
- SMILES
- CC1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl
- InChIKey
- YHYNDFTUZMEYNX-UHFFFAOYSA-N
- InChI
- 1S/C14H17N3O2S.2ClH/c1-11-10-17(8-7-16-11)20(18,19)14-4-2-3-12-9-15-6-5-13(12)14;;/h2-6,9,11,16H,7-8,10H2,1H3;2*1H
- Synonyms
- J-007414 | LP00662 | SCHEMBL1321843 | EU-0100662 | SCHEMBL1224227 | Tox21_500662 | SR-01000075940-2 | EINECS 217-491-...
- Isavuconazole10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I422805View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
- SMILES
- CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O
- InChIKey
- DDFOUSQFMYRUQK-RCDICMHDSA-N
- InChI
- show more
- Synonyms
- Isavuconazole|241479-67-4|BAL-4815|isavuconazol|BAL 4815|Isavuconazole [INN]|isavuconazolum|1286730-05-9|CHEBI:85979|...
- IsobavachinCAS: 31524-62-6 Formula: C20H20O4 Molecular Weight: 324.3710mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I423273View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
- SMILES
- CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)C
- InChIKey
- KYFBXCHUXFKMGQ-IBGZPJMESA-N
- InChI
- 1S/C20H20O4/c1-12(2)3-8-15-17(22)10-9-16-18(23)11-19(24-20(15)16)13-4-6-14(21)7-5-13/h3-7,9-10,19,21-22H,8,11H2,1-2H3/t19-/m0/s1
- Synonyms
- (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one | AKOS040757105 | CHEBI:186172 | C...
Fast Shipping Same-day shipping on in-stock items
Technical Details Quality & specification info on every product page
Pack Size Options Multiple packaging sizes with pricing access from listing
R&D Use Only Products supplied for research and development use
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.