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.
Products
- Ethyl 2-FuroateCAS: 1335-40-6 Formula: C7H8O3 Molecular Weight: 140.14● In Stock — US warehouse, ships to EU* Item #: E302418View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl furan-2-carboxylate
- SMILES
- CCOC(=O)C1=CC=CO1
- InChIKey
- NHXSTXWKZVAVOQ-UHFFFAOYSA-N
- InChI
- 1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
- Synonyms
- F0001-1621 | 2-Furancarboxylic Acid Ethyl Ester | BRN 0002653 | Ethyl-2-furoate | Ethyl2-furoate | Z54848724 | NSC 23...
- Ethyl 2-phenylcyclopropanecarboxylateCAS: 97-71-2 Formula: C12H14O2 Molecular Weight: 190.24◐ .Made to order · 8–12 wks Item #: E305050View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 2-phenylcyclopropane-1-carboxylate
- SMILES
- CCOC(=O)C1CC1C2=CC=CC=C2
- InChIKey
- SRGUIJLJERBBCM-UHFFFAOYSA-N
- InChI
- 1S/C12H14O2/c1-2-14-12(13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
- Synonyms
- ethyl 2-phenylcyclopropane-1-carboxylate | FT-0652266 | H11098 | MFCD29060157 | Prostaglandin D2, >=95%, synthetic | ...
- HexylHIBOCAS: 334887-43-3 Formula: C12H20N2O4·xHBr Molecular Weight: 256.3(free base)● In Stock — US warehouse, ships to EU* Item #: H287724View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-3-(4-hexyl-3-oxo-1,2-oxazol-5-yl)propanoic acid
- SMILES
- CCCCCCC1=C(ONC1=O)CC(C(=O)O)N
- InChIKey
- OKJBLHIYOWSQDJ-UHFFFAOYSA-N
- InChI
- 1S/C12H20N2O4/c1-2-3-4-5-6-8-10(18-14-11(8)15)7-9(13)12(16)17/h9H,2-7,13H2,1H3,(H,14,15)(H,16,17)
- Synonyms
- Hexylhomoibotenic acid | DTXSID90398387 | AKOS024456760 | HY-103559 | HEXYLHIBO | alpha-amino-4-hexyl-2,3-dihydro-3-o...
- TAS 301● In Stock — US warehouse, ships to EU* Item #: T288922View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[bis(4-methoxyphenyl)methylidene]-1H-indol-2-one
- SMILES
- COC1=CC=C(C=C1)C(=C2C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC
- InChIKey
- KUEYYIJXBRWZIB-UHFFFAOYSA-N
- InChI
- 1S/C23H19NO3/c1-26-17-11-7-15(8-12-17)21(16-9-13-18(27-2)14-10-16)22-19-5-3-4-6-20(19)24-23(22)25/h3-14H,1-2H3,(H,24,25)
- Synonyms
- HY-18965 | DTXSID80432401 | FT-0700251 | 2,2-Dimethylcyclohexanone, 92% | 3-[bis-(4-methoxy-phenyl)-methylene]-1,3-di...
- Torcetrapib, Cholesteryl ester transfer protein inhibitorCAS: 262352-17-0 Formula: C26H25F9N2O4 Molecular Weight: 600.47● In Stock — US warehouse, ships to EU* Item #: E129832View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
- SMILES
- CCC1CC(C2=C(N1C(=O)OCC)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC
- InChIKey
- CMSGWTNRGKRWGS-NQIIRXRSSA-N
- InChI
- show more
- Synonyms
- BRD-K55675242-001-03-0 | )-carboxylate | N-2790 | CP-529414 | s2792 | TORCETRAPIB [MI] | AMY24146 | 1(2H)-Quinolineca...
- Ethyl 4-ethoxyphenylacetateCAS: 40784-88-1 Formula: C12H16O3 Molecular Weight: 208.25● In Stock — US warehouse, ships to EU* Item #: E332366View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 2-(4-ethoxyphenyl)acetate
- SMILES
- CCOC1=CC=C(C=C1)CC(=O)OCC
- InChIKey
- KZWVNVPYBUGYTA-UHFFFAOYSA-N
- InChI
- 1S/C12H16O3/c1-3-14-11-7-5-10(6-8-11)9-12(13)15-4-2/h5-8H,3-4,9H2,1-2H3
- Synonyms
- 4-Ethoxyphenylacetic acid ethyl ester | Benzeneacetic acid, 4-ethoxy-, ethyl ester | AKOS008948429 | FT-0626081 | ETH...
- Ethyl 2-(2-chloroethoxy)acetateLiquid ≥98%● In Stock — US warehouse, ships to EU* Item #: E305168View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 2-(2-chloroethoxy)acetate
- SMILES
- CCOC(=O)COCCCl
- InChIKey
- CVYKQPLWSDHSSV-UHFFFAOYSA-N
- InChI
- 1S/C6H11ClO3/c1-2-10-6(8)5-9-4-3-7/h2-5H2,1H3
- Synonyms
- 1-Chloro-2-(ethoxycarbonylmethoxy)ethane | Ethyl (2-chloroethoxy)acetate | ethyl (2-chloroethoxy)-acetate | J-505566 ...
- Sulbactam sodium, Bacterial beta-lactamase TEM inhibitorSolid ≥98%● In Stock — US warehouse, ships to EU* Item #: E129334View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- SMILES
- CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)[O-])C.[Na+]
- InChIKey
- NKZMPZCWBSWAOX-IBTYICNHSA-M
- InChI
- 1S/C8H11NO5S.Na/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14;/h5-6H,3H2,1-2H3,(H,11,12);/q;+1/p-1/t5-,6+;/m1./s1
- Synonyms
- NKZMPZCWBSWAOX-IBTYICNHSA-M | SODIUM (2S-CIS)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE 4,4-...
- Ethyl 4-iso-propylbenzoylformate● In Stock — US warehouse, ships to EU* Item #: E358694View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 2-oxo-2-(4-propan-2-ylphenyl)acetate
- SMILES
- CCOC(=O)C(=O)C1=CC=C(C=C1)C(C)C
- InChIKey
- CGCCWTUTQYRMIO-UHFFFAOYSA-N
- InChI
- 1S/C13H16O3/c1-4-16-13(15)12(14)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3
- Synonyms
- ethyl 2-oxo-2-(4-propan-2-ylphenyl)acetate | AKOS010879709 | ethyl 4-iso-propylbenzoylformate, AldrichCPR | ETHYL4-IS...
- JNJ 55511118CAS: 2036081-86-2 Formula: C14H8ClF3N2O2 Molecular Weight: 328.67◐ .Made to order · 8–12 wks Item #: J287552View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[2-chloro-6-(trifluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
- SMILES
- C1=CC(=C(C(=C1)Cl)C2=CC3=C(C=C2)NC(=O)N3)OC(F)(F)F
- InChIKey
- COBXSLRIXGQVGS-UHFFFAOYSA-N
- InChI
- 1S/C14H8ClF3N2O2/c15-8-2-1-3-11(22-14(16,17)18)12(8)7-4-5-9-10(6-7)20-13(21)19-9/h1-6H,(H2,19,20,21)
- Synonyms
- 5-[2-Chloro-6-(trifluoromethoxy)phenyl]-1,3-dihydro-2H-benzimidazol-2-one
- Sulfo-Cyanine3 azide◐ .Made to order · 8–12 wks Item #: S275832View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[6-[(2Z)-3,3-dimethyl-5-sulfo-2-[(E)-3-(1,3,3-trimethyl-5-sulfoindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanoylamino]propylimino-iminoazanium
- SMILES
- CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1C=CC=C3C(C4=C(N3CCCCCC(=O)NCCCN=[N+]=N)C=CC(=C4)S(=O)(=O)O)(C)C)C)C
- InChIKey
- GYJILUBNEARHAE-UHFFFAOYSA-P
- InChI
- show more
- KJ Pyr 9CAS: 581073-80-5 Formula: C22H15N3O4 Molecular Weight: 385.37● In Stock — US warehouse, ships to EU* Item #: K288166View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[2-(furan-2-yl)-6-(4-nitrophenyl)pyridin-4-yl]benzamide
- SMILES
- C1=COC(=C1)C2=CC(=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)N
- InChIKey
- GTTDVYCKFQYVNN-UHFFFAOYSA-N
- InChI
- 1S/C22H15N3O4/c23-22(26)16-5-3-14(4-6-16)17-12-19(15-7-9-18(10-8-15)25(27)28)24-20(13-17)21-2-1-11-29-21/h1-13H,(H2,23,26)
- Synonyms
- 4-[2-(2-Furanyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide
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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.