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).
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Ligand families
24,639Navigate 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
2,815PROTAC 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
102,615Explore 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
- 1-(3-Chlorophenyl)-3-(4-sulfamoylphenyl)ureaCAS: 173550-70-4 Formula: C13H12ClN3O3S Molecular Weight: 325.77● In Stock — US warehouse, ships to EU* Item #: C668235View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(3-chlorophenyl)-3-(4-sulfamoylphenyl)urea
- SMILES
- C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
- InChIKey
- GATFAFCOQKIUEH-UHFFFAOYSA-N
- InChI
- 1S/C13H12ClN3O3S/c14-9-2-1-3-11(8-9)17-13(18)16-10-4-6-12(7-5-10)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
- Synonyms
- 1-(3-chlorophenyl)-3-(4-sulfamoylphenyl)urea|4-(3-(3-chlorophenyl)ureido)benzenesulfonamide|4-{[(3-chloroanilino)carb...
- 1-(4-Fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole◐ Made to order · 8–12 wks Item #: F668717View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole
- SMILES
- CC1=CC=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C
- InChIKey
- IODOBBFRLZLCJR-UHFFFAOYSA-N
- InChI
- 1S/C18H16FNO2S/c1-13-3-12-18(20(13)16-8-6-15(19)7-9-16)14-4-10-17(11-5-14)23(2,21)22/h3-12H,1-2H3
- Synonyms
- 1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole|1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl...
- 1-(4-Methylphenyl)-3-phenylprop-2-yn-1-one◐ Made to order · 8–12 wks Item #: M668330View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-methylphenyl)-3-phenylprop-2-yn-1-one
- SMILES
- CC1=CC=C(C=C1)C(=O)C#CC2=CC=CC=C2
- InChIKey
- HZTQMHOPSAEKFO-UHFFFAOYSA-N
- InChI
- 1S/C16H12O/c1-13-7-10-15(11-8-13)16(17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,1H3
- Synonyms
- 1-(4-methylphenyl)-3-phenylprop-2-yn-1-one|3-phenyl-1-(p-tolyl)prop-2-yn-1-one|3-phenyl-1-p-Tolyl-propynone|Cyto5C3|P...
- 1-(4-Nitrophenyl)-2-phenylethane-1,2-dioneCAS: 22711-24-6 Formula: C14H9NO4 Molecular Weight: 255.22◐ Made to order · 8–12 wks Item #: N668224View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-nitrophenyl)-2-phenylethane-1,2-dione
- SMILES
- C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
- InChIKey
- GPDKREBNFFEDHW-UHFFFAOYSA-N
- InChI
- 1S/C14H9NO4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H
- Synonyms
- 1-(4-nitrophenyl)-2-phenylethane-1,2-dione|4-Nitrobenzil|1,2-Ethanedione,1-(4-nitrophenyl)-2-phenyl-|p-Nitrobenzil|Be...
- 1-[(3-Methylphenyl)methyl]benzimidazoleCAS: 537018-04-5 Formula: C15H14N2 Molecular Weight: 222.28◐ Made to order · 8–12 wks Item #: M668562View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[(3-methylphenyl)methyl]benzimidazole
- SMILES
- CC1=CC(=CC=C1)CN2C=NC3=CC=CC=C32
- InChIKey
- CLVZYYZRLSFTTE-UHFFFAOYSA-N
- InChI
- 1S/C15H14N2/c1-12-5-4-6-13(9-12)10-17-11-16-14-7-2-3-8-15(14)17/h2-9,11H,10H2,1H3
- Synonyms
- 1-[(3-methylphenyl)methyl]benzimidazole|1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazole|1-(3-methylbenzyl)-1H-benzimid...
- 1-(6-Cyano-3-pyridylcarbonyl)-5',8'-difluorospiro[piperidine-4,2'(1'H)-quinazoline]-4'-amineFormula: C19H16F2N6O Molecular Weight: 382.4◐ Made to order · 8–12 wks Item #: C669026View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(4-amino-5,8-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile
- SMILES
- C1CN(CCC12NC3=C(C=CC(=C3C(=N2)N)F)F)C(=O)C4=CN=C(C=C4)C#N
- InChIKey
- GIZYIOOBBUHOBS-UHFFFAOYSA-N
- InChI
- 1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26)
- Synonyms
- 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE|5-(4'-Amino-5',8'-difluo...
- 1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-methylpiperidine◐ Made to order · 8–12 wks Item #: B668548View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylpiperidine
- SMILES
- CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Br
- InChIKey
- WUFYBGATQFSDDE-UHFFFAOYSA-N
- InChI
- 1S/C13H18BrNO3S/c1-10-5-7-15(8-6-10)19(16,17)11-3-4-13(18-2)12(14)9-11/h3-4,9-10H,5-8H2,1-2H3
- Synonyms
- 1-((3-bromo-4-methoxyphenyl)sulfonyl)-4-methylpiperidine|1-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylpiperidine|1-[(3...
- 1-Cycloheptyl-3-cyclohexylureaCAS: 1145-53-5 Formula: C14H26N2O Molecular Weight: 238.37◐ Made to order · 8–12 wks Item #: C668547View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-cycloheptyl-3-cyclohexylurea
- SMILES
- C1CCCC(CC1)NC(=O)NC2CCCCC2
- InChIKey
- UNJJKYXFZFSKNO-UHFFFAOYSA-N
- InChI
- 1S/C14H26N2O/c17-14(16-13-10-6-3-7-11-13)15-12-8-4-1-2-5-9-12/h12-13H,1-11H2,(H2,15,16,17)
- Synonyms
- 1-cycloheptyl-3-cyclohexylurea|N-cycloheptyl-N'-cyclohexylurea|Urea, N-cycloheptyl-N'-cyclohexyl-|Cambridge id 7271456
- 1-Amino-4-((4-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acidCAS: 72696-54-9 Formula: C29H20ClN7O11S3 Molecular Weight: 774.2◐ Made to order · 8–12 wks Item #: A668837View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-amino-4-[4-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
- SMILES
- C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)N
- InChIKey
- IYZXGLGVLYBKAI-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 1-Amino-4-((4-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-di...
- 1-Amino-4-chloro-2-methylanthraquinoneCAS: 3225-97-6 Formula: C15H10ClNO2 Molecular Weight: 271.7◐ Made to order · 8–12 wks Item #: A667860View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-amino-4-chloro-2-methylanthracene-9,10-dione
- SMILES
- CC1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)Cl
- InChIKey
- XHWWVXZEALFXQA-UHFFFAOYSA-N
- InChI
- 1S/C15H10ClNO2/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6H,17H2,1H3
- Synonyms
- 1-Amino-4-chloro-2-methylanthraquinone|1-amino-4-chloro-2-methylanthracene-9,10-dione|1-amino-4-chloro-2-methylanthra...
- 1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-methylpiperidin-4-amine◐ Made to order · 8–12 wks Item #: F669196View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine
- SMILES
- CNC1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F
- InChIKey
- LDMXQNXCFMLIER-UHFFFAOYSA-N
- InChI
- 1S/C20H23FN4/c1-22-17-10-12-24(13-11-17)20-23-18-4-2-3-5-19(18)25(20)14-15-6-8-16(21)9-7-15/h2-9,17,22H,10-14H2,1H3
- Synonyms
- 1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-methylpiperidin-4-amine|1-[1-(4-Fluorobenzyl)-1H-BenziMidazole-2yl]...
- 1-(Naphthalen-2-yl)propan-2-amineCAS: 18085-03-5 Formula: C13H15N Molecular Weight: 185.26◐ Made to order · 8–12 wks Item #: N669078View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-naphthalen-2-ylpropan-2-amine
- SMILES
- CC(CC1=CC2=CC=CC=C2C=C1)N
- InChIKey
- UPQSZFKXKRKCGZ-UHFFFAOYSA-N
- InChI
- 1S/C13H15N/c1-10(14)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-7,9-10H,8,14H2,1H3
- Synonyms
- 1-(naphthalen-2-yl)propan-2-amine|NAPHTHYLAMINOPROPANE|1-naphthalen-2-ylpropan-2-amine|PAL-287|1-(2-Naphthyl)-2-amino...
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![1-(6-Cyano-3-pyridylcarbonyl)-5',8'-difluorospiro[piperidine-4,2'(1'H)-quinazoline]-4'-amine - CAS No(C669026) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/C/6/C669026.jpg)
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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.
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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.
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