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
24,642Navigate 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
102,635Explore 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)
19,700Find 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)
8,782Shop 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
- Alexidine dihydrochlorideCAS: 22573-93-9 EC Number: 245-096-7 PubChem CID: 2090 Formula: C26H58Cl2N10 Molecular Weight: 581.71● In Stock — US warehouse, ships to EU* Item #: A303122View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine
- SMILES
- CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N
- InChIKey
- LFVVNPBBFUSSHL-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- AB00053637 | Alexidine (USAN/INN) | ALEXIDINE [USAN] | NCGC00178352-01 | SCHEMBL21496951 | Spectrum_000459 | SPBio_00...
- Benzylphosphonic Acid-(AM)2CAS: 200716-68-3 Formula: C₁₃H₁₇O₇P Molecular Weight: 316.3● In Stock — US warehouse, ships to EU* Item #: B334161View ProductPricing & Pack Sizes
Technical Identifiers
- SMILES
- CC(=O)OCOP(=O)(CC1=CC=CC=C1)OCOC(=O)C
- AlinidineCAS: 33178-86-8 Formula: C12H13Cl2N3 Molecular Weight: 270.16◐ .Made to order · 8–12 wks Item #: A353850View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(2,6-dichlorophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
- SMILES
- C=CCN(C1=C(C=CC=C1Cl)Cl)C2=NCCN2
- InChIKey
- OXTYVEUAQHPPMV-UHFFFAOYSA-N
- InChI
- 1S/C12H13Cl2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h2-5H,1,6-8H2,(H,15,16)
- Synonyms
- ALINIDINE [MART.] | ALINIDINE [MI] | ST-567-BR | N-Allyl-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine # | S...
- Diethyl D-glutamate hydrochlorideCAS: 1001-19-0 Formula: C9H17NO4·HCl Molecular Weight: 239.7Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: D302019View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- diethyl (2R)-2-aminopentanedioate;hydrochloride
- SMILES
- CCOC(=O)CCC(C(=O)OCC)N.Cl
- InChIKey
- WSEQLMQNPBNMSL-OGFXRTJISA-N
- InChI
- 1S/C9H17NO4.ClH/c1-3-13-8(11)6-5-7(10)9(12)14-4-2;/h7H,3-6,10H2,1-2H3;1H/t7-;/m1./s1
- Synonyms
- H-D-Glu(OEt)-OEt.HCl；Diethyl D-glutamate hydrochloride
- Diethyl hydrogen phosphateLiquid ≥95%● In Stock — US warehouse, ships to EU* Item #: D194124View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- diethyl hydrogen phosphate
- SMILES
- CCOP(=O)(O)OCC
- InChIKey
- UCQFCFPECQILOL-UHFFFAOYSA-N
- InChI
- 1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
- Synonyms
- BRN 1704113 | diethylphosphate | diethoxyphosphinic acid | NSC-289395 | diethyl hydrogen phosphate | DPF | O,O-Diethy...
- Dihydro-DL-orotic acidCAS: 6202-10-4 Formula: C5H6N2O4 Molecular Weight: 158.1Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: D331120View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,6-dioxo-1,3-diazinane-4-carboxylic acid
- SMILES
- C1C(NC(=O)NC1=O)C(=O)O
- InChIKey
- UFIVEPVSAGBUSI-UHFFFAOYSA-N
- InChI
- 1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)
- Synonyms
- DL-Dihydroorotic acid | 2,6-dioxo-1,3-diazinane-4-carboxylic acid | Dihydroorotic acid | 4-pyrimidinecarboxylic acid,...
- Dimethyl-bisphenol ACAS: 1568-83-8 Formula: C17H20O2 Molecular Weight: 256.34● In Stock — US warehouse, ships to EU* Item #: D275158View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
- SMILES
- CC(C)(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC
- InChIKey
- OJYIBEYSBXIQOP-UHFFFAOYSA-N
- InChI
- 1S/C17H20O2/c1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14/h5-12H,1-4H3
- Synonyms
- HIF-1alpha inhibitor | KSC-7-226 | BISPHENOLADIMETHYLETHER | DTXSID30347091 | 1-methoxy-4-[2-(4-methoxyphenyl)propan-...
- Flunixin meglumineCAS: 42461-84-7 EC Number: 255-836-0 PubChem CID: 39212 Formula: C14H11F3N2O2·C7H17NO5 Molecular Weight: 491.46● In Stock — US warehouse, ships to EU* Item #: F121952View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
- SMILES
- CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F.CNCC(C(C(C(CO)O)O)O)O
- InChIKey
- MGCCHNLNRBULBU-WZTVWXICSA-N
- InChI
- show more
- Synonyms
- AC-6012 | Banamine (vetarynary) | Flumeglumine | Q-201124 | 8Y3JK0JW3U | 1-Deoxy-1-(methylamino)-D-glucitol 2-(2-meth...
- Alloswitch-1◐ .Made to order · 8–12 wks Item #: A276404View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide
- Aliskiren Hemifumarate, Renin inhibitorCAS: 173334-58-2 EC Number: 630-415-8 PubChem CID: 6918427 Formula: C30H53N3O6·1/2C4H4O4 Molecular Weight: 609.83Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: A129231View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- show more
- InChIKey
- KLRSDBSKUSSCGU-KRQUFFFQSA-N
- InChI
- show more
- Synonyms
- CHEBI:141362 | SCHEMBL187762 | ALISKIREN HEMIFUMARATE [MI] | AMTURNIDE COMPONENT ALISKIREN HEMIFUMARATE | Aliskiren f...
- BYK204165Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: B330537View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (4Z)-4-[(1-methylpyrrol-2-yl)methylidene]isoquinoline-1,3-dione
- SMILES
- CN1C=CC=C1C=C2C3=CC=CC=C3C(=O)NC2=O
- InChIKey
- BTYSIDSTHDDAJW-LCYFTJDESA-N
- InChI
- 1S/C15H12N2O2/c1-17-8-4-5-10(17)9-13-11-6-2-3-7-12(11)14(18)16-15(13)19/h2-9H,1H3,(H,16,18,19)/b13-9-
- Synonyms
- HMS3678B15 | BYK204165 | BYK-204165 | SCHEMBL22022391 | PARP Inhibitor XIV - CAS 1104546-89-5 | AKOS024457779 | HMS34...
- Diethyl furan-2,5-dicarboxylate● In Stock — US warehouse, ships to EU* Item #: D303923View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- diethyl furan-2,5-dicarboxylate
- SMILES
- CCOC(=O)C1=CC=C(O1)C(=O)OCC
- InChIKey
- PHGMGTWRSNXLDV-UHFFFAOYSA-N
- InChI
- 1S/C10H12O5/c1-3-13-9(11)7-5-6-8(15-7)10(12)14-4-2/h5-6H,3-4H2,1-2H3
- Synonyms
- furan-2,5-dicarboxylic acid diethyl ester | Diethyl 2,5-furandicarboxylate | PHGMGTWRSNXLDV-UHFFFAOYSA-N | FT-0652022...
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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.