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
- 4,7-Dimethoxy-2-methyl-2,3-dihydro-1H-inden-1-one◐ Made to order · 8–12 wks Item #: D668333View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one
- SMILES
- CC1CC2=C(C=CC(=C2C1=O)OC)OC
- InChIKey
- PJJMKVJLFRGNKC-UHFFFAOYSA-N
- InChI
- 1S/C12H14O3/c1-7-6-8-9(14-2)4-5-10(15-3)11(8)12(7)13/h4-5,7H,6H2,1-3H3
- Synonyms
- 4,7-Dimethoxy-2-methyl-2,3-dihydro-1H-inden-1-one|4,7-Dimethoxy-2-methyl-indan-1-one|4,7-dimethoxy-2-methyl-2,3-dihyd...
- 4-(((1-Naphthylamino)carbonyl)amino)benzenesulfonamideFormula: C17H15N3O3S Molecular Weight: 341.4◐ Made to order · 8–12 wks Item #: N668236View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-naphthalen-1-yl-3-(4-sulfamoylphenyl)urea
- SMILES
- C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=C(C=C3)S(=O)(=O)N
- InChIKey
- QZAYRXXVTLUCHY-UHFFFAOYSA-N
- InChI
- 1S/C17H15N3O3S/c18-24(22,23)14-10-8-13(9-11-14)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,18,22,23)(H2,19,20,21)
- Synonyms
- 4-(((1-naphthylamino)carbonyl)amino)benzenesulfonamide|4-[(naphthalen-1-ylcarbamoyl)amino]benzenesulfonamide
- 4,5-Diphenyl-1,5-dihydroimidazol-2-one◐ Made to order · 8–12 wks Item #: D667999View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4,5-diphenyl-1,5-dihydroimidazol-2-one
- SMILES
- C1=CC=C(C=C1)C2C(=NC(=O)N2)C3=CC=CC=C3
- InChIKey
- UXKWMBYYIUTXCY-UHFFFAOYSA-N
- InChI
- 1S/C15H12N2O/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10,13H,(H,16,18)
- Synonyms
- 4,5-diphenyl-1,5-dihydroimidazol-2-one|4,5-Diphenyl-2-imidazolinone|4,5-diphenyl-1H-imidazol-2(5H)-one|1,5-Dihydro-4,...
- 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazoleFormula: C21H18N2O2S Molecular Weight: 362.4◐ Made to order · 8–12 wks Item #: B668601View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
- SMILES
- COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CS3)C4=CC=C(C=C4)OC
- InChIKey
- XBMULXNXJLWLLD-UHFFFAOYSA-N
- InChI
- 1S/C21H18N2O2S/c1-24-16-9-5-14(6-10-16)19-20(15-7-11-17(25-2)12-8-15)23-21(22-19)18-4-3-13-26-18/h3-13H,1-2H3,(H,22,23)
- Synonyms
- 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole|triaryl imidazole, 1|4,5-bis(4-methoxyphenyl)-2-(thiophen-2-yl)...
- 4-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzoic acid◐ Made to order · 8–12 wks Item #: D668439View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid
- SMILES
- C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CC=C(C=C4)C(=O)O
- InChIKey
- ONCKFUWLVNQAFK-UHFFFAOYSA-N
- InChI
- 1S/C19H11NO4/c21-17-14-5-1-3-11-4-2-6-15(16(11)14)18(22)20(17)13-9-7-12(8-10-13)19(23)24/h1-10H,(H,23,24)
- Synonyms
- 4-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzoic acid|4-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid|4-(1,3-...
- 4-((2-Hydroxybenzylidene)amino)benzenesulfonamideCAS: 916159-28-9 Formula: C13H12N2O3S Molecular Weight: 276.31◐ Made to order · 8–12 wks Item #: H668237View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(2-hydroxyphenyl)methylideneamino]benzenesulfonamide
- SMILES
- C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N)O
- InChIKey
- ZXZQKHBNVGUISZ-UHFFFAOYSA-N
- InChI
- 1S/C13H12N2O3S/c14-19(17,18)12-7-5-11(6-8-12)15-9-10-3-1-2-4-13(10)16/h1-9,16H,(H2,14,17,18)
- Synonyms
- 4-((2-Hydroxybenzylidene)amino)benzenesulfonamide|4-[(2-Hydroxy-benzylidene)-amino]-benzenesulfonamide|4-((2-HYDROXY-...
- 4-((2-Amino-4-pyrimidinyl)amino)benzenesulfonamide◐ Made to order · 8–12 wks Item #: A667885View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide
- SMILES
- C1=CC(=CC=C1NC2=NC(=NC=C2)N)S(=O)(=O)N
- InChIKey
- QOAXQANKSMHFKJ-UHFFFAOYSA-N
- InChI
- 1S/C10H11N5O2S/c11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)
- Synonyms
- 4-((2-amino-4-pyrimidinyl)amino)benzenesulfonamide|4-[(2-aminopyrimidin-4-yl)amino]benzenesulfonamide|4-((2-Aminopyri...
- 4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine◐ Made to order · 8–12 wks Item #: E669231View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
- SMILES
- CCN1C2=C(C=NC=C2)N=C1C3=NON=C3N
- InChIKey
- UGHABJRZQKZAHP-UHFFFAOYSA-N
- InChI
- 1S/C10H10N6O/c1-2-16-7-3-4-12-5-6(7)13-10(16)8-9(11)15-17-14-8/h3-5H,2H2,1H3,(H2,11,15)
- Synonyms
- 4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine|4-(1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiaz...
- 4-((4-(Dimethylamino)benzylidene)amino)benzenesulfonamideCAS: 1089307-13-0 Formula: C15H17N3O2S Molecular Weight: 303.4◐ Made to order · 8–12 wks Item #: D668239View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
- SMILES
- CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N
- InChIKey
- PAQQGWPGFHHBBN-UHFFFAOYSA-N
- InChI
- 1S/C15H17N3O2S/c1-18(2)14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,19)20/h3-11H,1-2H3,(H2,16,19,20)
- Synonyms
- 4-((4-(Dimethylamino)benzylidene)amino)benzenesulfonamide|(E)-4-((4-(dimethylamino)benzylidene)amino)benzenesulfonami...
- 4-(1,3-benzodioxol-5-ylmethyl)-N-phenylpiperazine-1-carboxamideFormula: C19H21N3O3 Molecular Weight: 339.4◐ Made to order · 8–12 wks Item #: B668384View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(1,3-benzodioxol-5-ylmethyl)-N-phenylpiperazine-1-carboxamide
- SMILES
- C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4
- InChIKey
- MFGAZEXFQHHYLA-UHFFFAOYSA-N
- InChI
- 1S/C19H21N3O3/c23-19(20-16-4-2-1-3-5-16)22-10-8-21(9-11-22)13-15-6-7-17-18(12-15)25-14-24-17/h1-7,12H,8-11,13-14H2,(H,20,23)
- Synonyms
- Cambridge id 6239959|4-(1,3-benzodioxol-5-ylmethyl)-N-phenylpiperazine-1-carboxamide|4-Benzo[1,3]dioxol-5-ylmethyl-pi...
- 4-((3,4-(Methylenedioxy)benzyl)amino)-6,7,8-trimethoxyquinazoline◐ Made to order · 8–12 wks Item #: M668146View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(1,3-benzodioxol-5-ylmethyl)-6,7,8-trimethoxyquinazolin-4-amine
- SMILES
- COC1=C(C(=C2C(=C1)C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)OC)OC
- InChIKey
- OTQULNJSJQEICR-UHFFFAOYSA-N
- InChI
- 1S/C19H19N3O5/c1-23-15-7-12-16(18(25-3)17(15)24-2)21-9-22-19(12)20-8-11-4-5-13-14(6-11)27-10-26-13/h4-7,9H,8,10H2,1-3H3,(H,20,21,22)
- Synonyms
- 4-((3,4-(Methylenedioxy)benzyl)amino)-6,7,8-trimethoxyquinazoline|N-(1,3-benzodioxol-5-ylmethyl)-6,7,8-trimethoxyquin...
- 4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)butanenitrileCAS: 10313-98-1 Formula: C11H10N2O3S Molecular Weight: 250.28◐ Made to order · 8–12 wks Item #: D668186View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanenitrile
- SMILES
- C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCC#N
- InChIKey
- NANSEMNYDSVDBY-UHFFFAOYSA-N
- InChI
- 1S/C11H10N2O3S/c12-7-3-4-8-13-11(14)9-5-1-2-6-10(9)17(13,15)16/h1-2,5-6H,3-4,8H2
- Synonyms
- 4-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)butanenitrile|4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanenitrile|1,2-...
![4-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzoic acid - CAS No(135980-47-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/D/6/D668439.jpg)
![4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine - CAS No(607368-87-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/E/6/E669231.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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