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
- EctoineCAS: 96702-03-3 Formula: C6H10N2O2 Molecular Weight: 142.1610mM in Water● In Stock — US Item #: E427171View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
- SMILES
- CC1=N[C@@H](CCN1)C(O)=O
- InChIKey
- WQXNXVUDBPYKBA-YFKPBYRVSA-N
- InChI
- 1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
- Synonyms
- THP(B) | SCHEMBL93532 | WQXNXVUDBPYKBA-YFKPBYRVSA-N | (S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid | 4...
- Edoxaban tosylate MonohydrateLiquid 10mM in DMSO● In Stock — US Item #: E420991View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC2=C(C1)SC(=N2)C(=O)NC3CC(CCC3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C.O
- InChIKey
- PSMMNJNZVZZNOI-SJILXJHISA-N
- InChI
- show more
- Synonyms
- N1-(5-chloropyridin-2-yl)-N2-((1S,2R,4S)-4-[(dimethylamino)carbonyl]-2-{[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]p...
- Edrophonium Chloride, Acetylcholinesterase inhibitor10mM in DMSO● In Stock — US Item #: E420748View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride
- SMILES
- CC[N+](C)(C)C1=CC(=CC=C1)O.[Cl-]
- InChIKey
- BXKDSDJJOVIHMX-UHFFFAOYSA-N
- InChI
- 1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H
- Synonyms
- Edrophonium chloride (USP:INN:BAN:JAN) | SR-01000000275 | Cloruro de edrofonio (INN-Spanish) | SR-01000000275-4 | FT-...
- Ethyl phenethyl acetalCAS: 2556-10-7 Formula: C12H18O2 Molecular Weight: 194.27● In Stock — US Item #: E414385View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(1-ethoxyethoxy)ethylbenzene
- SMILES
- CCOC(C)OCCC1=CC=CC=C1
- InChIKey
- QQDGMPOYFGNLMT-UHFFFAOYSA-N
- InChI
- 1S/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
- Synonyms
- CCG-266540 | FT-0698108 | EINECS 219-868-9 | QQDGMPOYFGNLMT-UHFFFAOYSA- | AC-34215 | Acetaldehyde ethyl 2-phenylethyl...
- Eg5 Inhibitor V, trans-24● In Stock — US Item #: E338228View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (10R,15S)-13-benzyl-10-(3-hydroxyphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
- SMILES
- C1C2C(=O)N(C(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC(=CC=C5)O)CC6=CC=CC=C6
- InChIKey
- UOKINRKWPYVMSZ-LADGPHEKSA-N
- InChI
- show more
- Synonyms
- (10R,15S)-13-benzyl-10-(3-hydroxyphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,1...
- Eletriptan HBr, Serotonin 1d (5-HT1d) receptor agonistLiquid 10mM in DMSO● In Stock — US Item #: E422165View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;hydrobromide
- SMILES
- CN1CCCC1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.Br
- InChIKey
- UTINOWOSWSPFLJ-FSRHSHDFSA-N
- InChI
- show more
- Synonyms
- N/A | 3-(N-methyl-2(R)-pyrrolidinylmethyl)-5-[2-(phenyl sulfonyl)ethyl]-1H-indole hydrobromide | 3-(N-Methyl-2(R)-pyr...
- EliglustatLiquid 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 #: E424254View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]octanamide
- SMILES
- CCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCCO3)O
- InChIKey
- FJZZPCZKBUKGGU-AUSIDOKSSA-N
- InChI
- show more
- Synonyms
- EN300-259910 | Genz 99067 | s7852 | 1000191-50-3 | CCG-101413 | CHEBI:82752 | Genz-99067 | Z825742124 | GLXC-90436 | ...
- Ellagic Acid hydrateCAS: 314041-08-2 Formula: C14H6O8.H2O Molecular Weight: 320.21● In Stock — US Item #: E413293View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione;hydrate
- SMILES
- C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O.O
- InChIKey
- UOZZJRXBNGVIKO-UHFFFAOYSA-N
- InChI
- 1S/C14H6O8.H2O/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19;/h1-2,15-18H;1H2
- Eltanexor (KPT-8602), Inhibitor of exportin 1CAS: 1642300-52-4 Formula: C17H10F6N6O Molecular Weight: 428.29Liquid 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 #: E422031View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-pyrimidin-5-ylprop-2-enamide
- SMILES
- C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NN(C=N2)C=C(C3=CN=CN=C3)C(=O)N
- InChIKey
- JFBAVWVBLRIWHM-AWNIVKPZSA-N
- InChI
- 1S/C17H10F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-8H,(H2,24,30)/b13-6+
- Synonyms
- 5-Pyrimidineacetamide, alpha-((3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)methylene)-, (alphaE)- | (2E)...
- Empagliflozin (BI 10773), Sodium/glucose cotransporter 2 inhibitorLiquid 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 #: E409159View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, (1S)-
- Encenicline (EVP-6124) hydrochloride● In Stock — US Item #: E412827View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloro-1-benzothiophene-2-carboxamide;hydrochloride
- SMILES
- C1CN2CCC1C(C2)NC(=O)C3=CC4=C(S3)C(=CC=C4)Cl.Cl
- InChIKey
- OIJYTJGIDVTCFF-ZOWNYOTGSA-N
- InChI
- 1S/C16H17ClN2OS.ClH/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19;/h1-3,8,10,13H,4-7,9H2,(H,18,20);1H/t13-;/m0./s1
- Synonyms
- EVP-6124 (hydrochloride) | (R)-7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide hydrochloride. | B2929 | ...
- Enclomiphene citrateCAS: 7599-79-3 Formula: C32H36ClNO8 Molecular Weight: 598.08● In Stock — US Item #: T345380View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
- SMILES
- CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
- InChIKey
- PYTMYKVIJXPNBD-BTKVJIOYSA-N
- InChI
- show more
- Synonyms
- Androxal | 2-[4-[(E)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy]-N,N-diethyl-ethanamine; 2-oxidanylpropane-1,2,3-tricar...
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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.