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
24,635Navigate 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
102,621Explore 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
- NAcM-OPTCAS: 2089293-61-6 Formula: C23H29Cl2N3O Molecular Weight: 434.410mM in DMSO● In Stock — US warehouse, ships to EU* Item #: N422536View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3,4-dichlorophenyl)urea
- SMILES
- CCCCN1CCC(CC1)N(CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl
- InChIKey
- VPHJABWIKCBGMC-UHFFFAOYSA-N
- InChI
- 1S/C23H29Cl2N3O/c1-2-3-13-27-14-11-20(12-15-27)28(17-18-7-5-4-6-8-18)23(29)26-19-9-10-21(24)22(25)16-19/h4-10,16,20H,2-3,11-15,17H2,1H3,(H,26,29)
- Synonyms
- N-(1-butyl-4-piperidinyl)-N'-(3,4-dichlorophenyl)-N-(phenylmethyl)urea | Urea,N-(1-butyl-4-piperidinyl)-N'-(3,�...
- NB 598◐ .Made to order · 8–12 wks Item #: N412330View ProductPricing & Pack Sizes
Technical Identifiers
- NEO2734CAS: 2081072-29-7 Formula: C22H24F3N3O3 Molecular Weight: 435.44● In Stock — US warehouse, ships to EU* Item #: N414442View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
- SMILES
- CC1=CC(=CN(C1=O)C)C2=CC3=C(C=C2)N=C(N3CCOC(F)(F)F)C4CCOCC4
- InChIKey
- KPWWFNXRLAAREN-UHFFFAOYSA-N
- InChI
- 1S/C22H24F3N3O3/c1-14-11-17(13-27(2)21(14)29)16-3-4-18-19(12-16)28(7-10-31-22(23,24)25)20(26-18)15-5-8-30-9-6-15/h3-4,11-13,15H,5-10H2,1-2H3
- Synonyms
- EP316702 | 1,3-dimethyl-5-[2-(tetrahydro-2H-pyran-4-yl)-1-[2-(trifluoromethoxy)ethyl]-1H-benzimidazol-...
- NEXIUM (esomeprazole magnesium), Potassium-transporting ATPase inhibitor10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: N409063View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Magnesium, bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-κO]-1H-benzimidazolato-κN3]-, (T...
- NEDD8 inhibitor M22CAS: 864420-54-2 Formula: C20H24Cl2N2 Molecular Weight: 363.32● In Stock — US warehouse, ships to EU* Item #: N412920View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine
- SMILES
- C1CN(CCC1NCCC2=C(C=C(C=C2)Cl)Cl)CC3=CC=CC=C3
- InChIKey
- WMEXQHGRMWPOEF-UHFFFAOYSA-N
- InChI
- 1S/C20H24Cl2N2/c21-18-7-6-17(20(22)14-18)8-11-23-19-9-12-24(13-10-19)15-16-4-2-1-3-5-16/h1-7,14,19,23H,8-13,15H2
- Synonyms
- M22
- NGI 110mM in DMSO● In Stock — US warehouse, ships to EU* Item #: N425970View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
- SMILES
- CC1=CN=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3
- InChIKey
- QPKGRLIYJGBKJL-UHFFFAOYSA-N
- InChI
- 1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22)
- Synonyms
- 5-[(Dimethylamino)sulfonyl]-N-(5-methyl-2-thiazolyl)-2-(1-pyrrolidinyl)benzamide | NCGC00351072-01 | KSC-367-096-1 | ...
- NGP 555CAS: 1304630-27-0 Formula: C23H23FN4S Molecular Weight: 406.5210mM in DMSO● In Stock — US warehouse, ships to EU* Item #: N421186View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(5-ethyl-2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
- SMILES
- CCC1=CC(=C(C=C1C)C)NC2=NC(=CS2)C3=CC(=C(C=C3)N4C=C(N=C4)C)F
- InChIKey
- WDEKUGNKKOGFOA-UHFFFAOYSA-N
- InChI
- 1S/C23H23FN4S/c1-5-17-10-20(15(3)8-14(17)2)26-23-27-21(12-29-23)18-6-7-22(19(24)9-18)28-11-16(4)25-13-28/h6-13H,5H2,1-4H3,(H,26,27)
- Synonyms
- 1304630-27-0 | AKOS040742286 | 1XA7T7L527 | 2-Thiazolamine, N-(5-ethyl-2,4-dimethylphenyl)-4-(3-fluoro-4-(4-methyl-1H...
- NGP 555CAS: 1304630-27-0 Formula: C23H23FN4S Molecular Weight: 406.52● In Stock — US warehouse, ships to EU* Item #: N414080View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(5-ethyl-2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
- SMILES
- CCC1=CC(=C(C=C1C)C)NC2=NC(=CS2)C3=CC(=C(C=C3)N4C=C(N=C4)C)F
- InChIKey
- WDEKUGNKKOGFOA-UHFFFAOYSA-N
- InChI
- 1S/C23H23FN4S/c1-5-17-10-20(15(3)8-14(17)2)26-23-27-21(12-29-23)18-6-7-22(19(24)9-18)28-11-16(4)25-13-28/h6-13H,5H2,1-4H3,(H,26,27)
- Synonyms
- 1304630-27-0 | AKOS040742286 | 1XA7T7L527 | 2-Thiazolamine, N-(5-ethyl-2,4-dimethylphenyl)-4-(3-fluoro-4-(4-methyl-1H...
- NH 125CAS: 278603-08-0 EC Number: 636-669-6 PubChem CID: 10436839 Formula: C27H45IN2 Molecular Weight: 524.5610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: N422978View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-benzyl-3-hexadecyl-2-methylimidazol-1-ium;iodide
- SMILES
- CCCCCCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[I-]
- InChIKey
- RVWOHCBHAGBLLT-UHFFFAOYSA-M
- InChI
- show more
- Synonyms
- METAPROTERENOL SULFATE [USP-RS] | A924174 | BCP29662 | Quinidate | 3-Benzyl-1-hexadecyl-2-methyl-1H-imidazol-3-iumiod...
- NIBR 18910mM in DMSO● In Stock — US warehouse, ships to EU* Item #: N421918View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-3-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
- SMILES
- COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)Br
- InChIKey
- OFHXXBRBGWUOHR-NYYWCZLTSA-N
- InChI
- 1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
- Synonyms
- EX-A1054 | SCHEMBL16598583 | (2E)-3-(4-Bromophenyl)-1-[4-4-methoxybenzoyl)-1-piperazinyl]-2-propene-1-one | BDBM50011...
- NCB-0846CAS: 1792999-26-8 Formula: C21H21N5O2 Molecular Weight: 375.42Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%◐ .Made to order · 8–12 wks Item #: N413998View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[2-(3H-benzimidazol-5-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
- SMILES
- C1CC(CCC1O)OC2=CC=CC3=CN=C(N=C32)NC4=CC5=C(C=C4)N=CN5
- InChIKey
- FYWRWBSYRGSWIQ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Cyclohexanol,4-[[2-(1H-benzimidazol-6-ylamino)-8-quinazolinyl]oxy]-,cis- | cis-4-((2-((1H-Benzo[d]imidazol...
- NCC007CAS: 2342583-66-6 Formula: C22H28F3N7 Molecular Weight: 447.50● In Stock — US warehouse, ships to EU* Item #: N412562View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 9-(1-cyclopropylethyl)-2-N-[2-(dimethylamino)ethyl]-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
- SMILES
- CC(C1CC1)N2C=NC3=C(N=C(N=C32)NCCN(C)C)NCC4=CC(=CC=C4)C(F)(F)F
- InChIKey
- GHRNSZVMIARHIS-UHFFFAOYSA-N
- InChI
- show more
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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.