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).
Targets & Pathways
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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
24,638Navigate 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 for designing and evaluating ADC constructs.
PROTAC
2,815PROTAC and targeted protein degradation tools for discovery research. Browse degrader-related ligands, linkers, and building blocks to assemble or screen PROTAC designs, with clear identifiers for efficient selection.
By Signaling Pathways
102,614Explore 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
- EED226CAS: 2083627-02-3 Formula: C17H15N5O3S Molecular Weight: 369.4Liquid 10mM in DMSO● In Stock — US Item #: E422525View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
- SMILES
- CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4
- InChIKey
- DYIRSNMPIZZNBK-UHFFFAOYSA-N
- InChI
- 1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
- Synonyms
- N-(2-Furanylmethyl)-8-[4-(methylsulfonyl)phenyl]-1,2,4-triazolo[4,3-c]pyrimidin-5-amine | 1,2,4-Triazolo[4,3-c]...
- EGFR inhibitor, Inhibitor of epidermal growth factor receptorCAS: 879127-07-8 Formula: C21H18F3N5O Molecular Weight: 413.4Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO● In Stock — US Item #: E426643View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
- SMILES
- C1CC1C(=O)NC2=CC=CC(=C2)NC3=NC=NC(=C3)NC4=CC=CC(=C4)C(F)(F)F
- InChIKey
- YOHYSYJDKVYCJI-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- K00598a | AKOS000120473 | EGFR inhibitor(YUN27078) | EGFR Inhibitor [879127-07-8] | EGFR Inhibitor - CAS 879127-07-8 ...
- ELR-510444CAS: 1233948-35-0 Formula: C19H16N2O2S2 Molecular Weight: 368.47Liquid 10mM in DMSO● In Stock — US Item #: E421012View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[5-(5-cyanothiophen-2-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C3=CC=C(S3)C#N)C
- InChIKey
- GRYXROIHHXHFND-UHFFFAOYSA-N
- InChI
- 1S/C19H16N2O2S2/c1-13-3-8-17(9-4-13)25(22,23)21-18-11-15(6-5-14(18)2)19-10-7-16(12-20)24-19/h3-11,21H,1-2H3
- Synonyms
- Benzenesulfonamide,N-[5-(5-cyano-2-thienyl)-2-methylphenyl]-4-methyl-
- EMD638683, Inhibitor of serum/glucocorticoid regulated kinase 1CAS: 1181770-72-8 Formula: C18H18F2N2O4 Molecular Weight: 364.34Liquid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO● In Stock — US Item #: E420805View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N'-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide
- SMILES
- CCC1=C(C=CC(=C1C)O)C(=O)NNC(=O)C(C2=CC(=CC(=C2)F)F)O
- InChIKey
- SSNAPUUWBPZGOY-UHFFFAOYSA-N
- InChI
- 1S/C18H18F2N2O4/c1-3-13-9(2)15(23)5-4-14(13)17(25)21-22-18(26)16(24)10-6-11(19)8-12(20)7-10/h4-8,16,23-24H,3H2,1-2H3,(H,21,25)(H,22,26)
- Synonyms
- A925647 | Z3247511913 | BCP29409 | EMD 638683; EMD-638683 | C18H18F2N2O4 | HY-15193 | 1181770-72-8 | 2-(3,5-DIFLUOROP...
- EN4CAS: 1197824-15-9 Formula: C25H24N2O4 Molecular Weight: 416.47● In Stock — US Item #: E414489View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide
- SMILES
- CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CNC(=O)C=C
- InChIKey
- DKOWGKKELPCHEG-UHFFFAOYSA-N
- InChI
- 1S/C25H24N2O4/c1-3-24(28)26-17-18-9-11-19(12-10-18)25(29)27-22-7-5-6-8-23(22)31-21-15-13-20(14-16-21)30-4-2/h3,5-16H,1,4,17H2,2H3,(H,26,28)(H,27,29)
- Synonyms
- MS-27247 | N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide | benzamide,n-(2-(4-ethoxyphenoxy)phe...
- EN4Liquid 10mM in DMSO● In Stock — US Item #: E420873View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide
- SMILES
- CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CNC(=O)C=C
- InChIKey
- DKOWGKKELPCHEG-UHFFFAOYSA-N
- InChI
- 1S/C25H24N2O4/c1-3-24(28)26-17-18-9-11-19(12-10-18)25(29)27-22-7-5-6-8-23(22)31-21-15-13-20(14-16-21)30-4-2/h3,5-16H,1,4,17H2,2H3,(H,26,28)(H,27,29)
- Synonyms
- MS-27247 | N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide | benzamide,n-(2-(4-ethoxyphenoxy)phe...
- EN6CAS: 1808714-73-9 Formula: C19H14F2N4O2 Molecular Weight: 368.34● In Stock — US Item #: E413569View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(2-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide
- SMILES
- C=CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3F)F
- InChIKey
- SUSXQEYPNDORDQ-UHFFFAOYSA-N
- InChI
- 1S/C19H14F2N4O2/c1-2-18(26)24-16-9-13(7-8-14(16)20)23-19(27)12-10-22-25(11-12)17-6-4-3-5-15(17)21/h2-11H,1H2,(H,23,27)(H,24,26)
- Synonyms
- BS-15697 | SCHEMBL21393135 | ZB1625 | EN300-1720461 | AC-36359 | Z1410267069 | AKOS037648810 | EN6 | EN-6 | ABM-4739 ...
- EOAI3402143CAS: 1699750-95-2 Formula: C25H28Cl2N4O3 Molecular Weight: 503.42● In Stock — US Item #: E413664View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-2-cyano-3-(3,6-dichloropyridin-2-yl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide
- SMILES
- CCCC(C1=CC=C(C=C1)OCCN2CCOCC2)NC(=O)C(=CC3=C(C=CC(=N3)Cl)Cl)C#N
- InChIKey
- IIKVQQNZHGBYGQ-KNTRCKAVSA-N
- InChI
- show more
- Synonyms
- 2-Propenamide,2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-[2-(4-morpholinyl)ethoxy]phenyl]butyl]-�...
- EPZ011989CAS: 2095432-26-9 Formula: C35H51N5O4·HCl Molecular Weight: 642.27◐ .Made to order · 8–12 wks Item #: E413837View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-[ethyl[trans-4-[(2-methoxyethyl)methylamino]...
- EPZ020411 2HCl● In Stock — US Item #: E413843View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N,N'-dimethyl-N'-[[5-[4-[3-[2-(oxan-4-yl)ethoxy]cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;hydrochloride
- SMILES
- CNCCN(C)CC1=C(NN=C1)C2=CC=C(C=C2)OC3CC(C3)OCCC4CCOCC4.Cl
- InChIKey
- LIDZHJMYAKPGOJ-UHFFFAOYSA-N
- InChI
- show more
- ERK inhibitorCAS: 1049738-54-6 Formula: C14H16N2O3S・HCl Molecular Weight: 328.81● In Stock — US Item #: E335372View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(2-aminoethyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
- SMILES
- CCOC1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CCN.Cl
- InChIKey
- PQVLWVGMXJPJLG-UHFFFAOYSA-N
- InChI
- 1S/C14H16N2O3S.ClH/c1-2-19-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(18)20-12;/h3-6,9H,2,7-8,15H2,1H3;1H
- Synonyms
- 3-(2-Aminoethyl)-5-((4-ethoxyphenyl)methylene)-2,4-thiazolidinedione, HCl
- ERK5-IN-2CAS: 1888305-96-1 Formula: C17H11BrFN3O2 Molecular Weight: 388.19● In Stock — US Item #: E413634View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(2-bromo-6-fluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
- SMILES
- C1=CC(=C(C(=C1)Br)C(=O)C2=CNC(=C2)C(=O)NC3=CN=CC=C3)F
- InChIKey
- ATKCERYALDNMPL-UHFFFAOYSA-N
- InChI
- 1S/C17H11BrFN3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,21H,(H,22,24)
- Synonyms
- 4-(2-Bromo-6-fluorobenzoyl)-N-(pyridin-3-yl)-1H-pyrrole-2-carboxamide
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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.