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.
Popular Products
- Eflornithine hydrochloride hydrate, Ornithine decarboxylase inhibitorCAS: 96020-91-6 Formula: C6H12F2N2O2·HCl·H2O Molecular Weight: 236.65● In Stock — US warehouse, ships to EU* Item #: E156175View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,5-diamino-2-(difluoromethyl)pentanoic acid;hydrate;hydrochloride
- SMILES
- C(CC(C(F)F)(C(=O)O)N)CN.O.Cl
- InChIKey
- FJPAMFNRCFEGSD-UHFFFAOYSA-N
- InChI
- 1S/C6H12F2N2O2.ClH.H2O/c7-4(8)6(10,5(11)12)2-1-3-9;;/h4H,1-3,9-10H2,(H,11,12);1H;1H2
- Synonyms
- Eflornithine hydrochloride monohydrate | Florexa | (4-METHYLSULFANYL-PHENYL)-PHOSPHONICACIDDIETHYLESTER | A845532 | E...
- Ebselen OxideCAS: 104473-83-8 Formula: C13H9NO2Se Molecular Weight: 290.18● In Stock — US warehouse, ships to EU* Item #: E344603View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-oxo-2-phenyl-1λ4,2-benzoselenazol-3-one
- SMILES
- C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2=O
- InChIKey
- SBTLFLABILGUMK-UHFFFAOYSA-N
- InChI
- 1S/C13H9NO2Se/c15-13-11-8-4-5-9-12(11)17(16)14(13)10-6-2-1-3-7-10/h1-9H
- Synonyms
- NSC639772 | NSC-639772 | 1-oxo-2-phenyl-1lambda4,2-benzoselenazol-3-one | Ebselen Oxide | 1,2-Benzisoselenazole-1,3-d...
- Pigment Red 13Technical grade ? Technical grade — industrial-quality purity with no tight impurity guarantees. Use for large-scale or non-critical processes where cost matters most.● In Stock — Germany Item #: P341831View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-hydroxy-4-[(4-methyl-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)naphthalene-2-carboxamide
- SMILES
- CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4C)O)[N+](=O)[O-]
- InChIKey
- ZULWYEUQOYBFOW-UHFFFAOYSA-N
- InChI
- 1S/C25H20N4O4/c1-15-11-12-21(22(13-15)29(32)33)27-28-23-18-9-5-4-8-17(18)14-19(24(23)30)25(31)26-20-10-6-3-7-16(20)2/h3-14,30H,1-2H3,(H,26,31)
- Synonyms
- 2-Naphthalenecarboxamide, 3-hydroxy-4-[(4-methyl-2-nitrophenyl)azo]-N-(2-methylphenyl)- | 3-Hydroxy-4-((4-methyl-2-ni...
- 5-Methyl-2-phenyl-1,2-dihydropyrazol-3-oneCAS: 19735-89-8 Formula: C10H10N2O Molecular Weight: 174.2● In Stock — Germany Item #: M302686View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-methyl-2-phenyl-1H-pyrazol-3-one
- SMILES
- CC1=CC(=O)N(N1)C2=CC=CC=C2
- InChIKey
- KZQYIMCESJLPQH-UHFFFAOYSA-N
- InChI
- 1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3
- Synonyms
- CHEBI:190738 | FT-0701986 | 5-hydroxy-3-methyl-1-phenyl-1h-pyrazole | 3-Methyl-1-phenyl-1H-pyrazol-5-ol | PLVBQEFRONZ...
- Pine oilLiquid Native ? Native grade — protein/biomolecule in its natural (non-recombinant, non-denatured) form. Use when native structure and activity are required.● In Stock — US warehouse, ships to EU* Item #: P304671View ProductPricing & Pack Sizes
Technical Identifiers
- BIBO 3304 trifluoroacetateCAS: 191868-14-1 Formula: C31H36F3N7O5 Molecular Weight: 643.66Solid 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 #: B332141View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide;2,2,2-trifluoroacetic acid
- SMILES
- C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)CNC(=O)N.C(=O)(C(F)(F)F)O
- InChIKey
- FBMCYYWIBYEOST-GJFSDDNBSA-N
- InChI
- show more
- Synonyms
- CCG-269771 | SCHEMBL16767232 | Benzeneacetamide, N-[(1R)-1-[[[[4-[[(aminocarbonyl)amino]methyl]phenyl]methyl]amino]ca...
- Eliprodil● In Stock — US warehouse, ships to EU* Item #: E137445View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol
- SMILES
- C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)O
- InChIKey
- GGUSQTSTQSHJAH-UHFFFAOYSA-N
- InChI
- 1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
- Synonyms
- ?-(4-Chlorophenyl)-4-[(4-fluorophenyl)methyl]-1-piperidineethanol | BDBM50079387 | SL-82,0715; SL82,0715; SL 82,0715;...
- Pinic AcidCAS: 28664-02-0 Formula: C9H14O4 Molecular Weight: 186.21≥95% Mixture of Diastereomers● In Stock — US warehouse, ships to EU* Item #: P340784View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
- SMILES
- CC1(C(CC1C(=O)O)CC(=O)O)C
- InChIKey
- LEVONNIFUFSRKZ-UHFFFAOYSA-N
- InChI
- 1S/C9H14O4/c1-9(2)5(4-7(10)11)3-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
- Synonyms
- (3-carboxy-2,2-dimethyl-cyclobutyl)-acetic acid | DTXSID20951323 | MLS002637644 | Pinic acid | 3-(carboxymethyl)-2,2-...
- VX-222 (VCH-222, Lomibuvir)● In Stock — US warehouse, ships to EU* Item #: V127611View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
- SMILES
- CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C#CC(C)(C)C)C(=O)O
- InChIKey
- WPMJNLCLKAKMLA-UHFFFAOYSA-N
- InChI
- 1S/C25H35NO4S/c1-16-5-7-17(8-6-16)23(28)26(18-9-11-19(27)12-10-18)21-15-20(13-14-25(2,3)4)31-22(21)24(29)30/h15-19,27H,5-12H2,1-4H3,(H,29,30)
- Synonyms
- AS-19557 | 1026785-55-6 (or 1026785-59-0) | NCGC00386146-02 | SCHEMBL15498313 | VCH222 | VCH-222 | s1480 | VX-222 (VC...
- BIXCAS: 101714-41-4 Formula: C9H7NO3S Molecular Weight: 209.22● In Stock — US warehouse, ships to EU* Item #: B288217View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [2-(3,4-dihydroxyphenyl)-2-oxoethyl] thiocyanate
- SMILES
- C1=CC(=C(C=C1C(=O)CSC#N)O)O
- InChIKey
- SVFLBLCWKKQKDW-UHFFFAOYSA-N
- InChI
- 1S/C9H7NO3S/c10-5-14-4-9(13)6-1-2-7(11)8(12)3-6/h1-3,11-12H,4H2
- Synonyms
- AS-79949 | HY-110188 | 1-(3,4-dihydroxyphenyl)-2-thiocyanato-ethanone | STL417030 | EN300-209059 | F76060 | 1-(3,4-di...
- Entecavir, DNA polymerase/reverse transcriptase inhibitorCAS: 142217-69-4 Formula: C12H15N5O3 Molecular Weight: 277.3● In Stock — US warehouse, ships to EU* Item #: E181466View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
- SMILES
- C=C1C(CC(C1CO)O)N2C=NC3=C2N=C(NC3=O)N
- InChIKey
- QDGZDCVAUDNJFG-FXQIFTODSA-N
- InChI
- 1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1
- Synonyms
- CAS-142217-69-4 | SQ 34676 | SQ34676 | SQ-34676 | 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecycl...
- BikaverinCAS: 33390-21-5 Formula: C20H14O8 Molecular Weight: 382.32◐ .Made to order · 8–12 wks Item #: B276075View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7,10-dihydroxy-3,8-dimethoxy-1-methylbenzo[b]xanthene-6,11,12-trione
- SMILES
- CC1=CC(=CC2=C1C(=O)C3=C(O2)C(=O)C4=C(C3=O)C(=CC(=C4O)OC)O)OC
- InChIKey
- QXNACSREWQXWCV-UHFFFAOYSA-N
- InChI
- 1S/C20H14O8/c1-7-4-8(26-2)5-10-12(7)17(23)15-18(24)13-9(21)6-11(27-3)16(22)14(13)19(25)20(15)28-10/h4-6,21-22H,1-3H3
- Synonyms
- NSC 215139 | Lycopersin | BRN 0358013 | 6,11-Dihydroxy-3,8-dimethoxy-1-methylbenzo[b]xanthene-7,10, 12-trione
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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.