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-(4-Pyridin-3-yl-thiazol-2-ylamino)-phenolFormula: C14H11N3OS Molecular Weight: 269.32◐ Made to order · 8–12 wks Item #: P668420View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol
- SMILES
- C1=CC(=CN=C1)C2=CSC(=N2)NC3=CC=C(C=C3)O
- InChIKey
- JUQHQGUXCHFPCY-UHFFFAOYSA-N
- InChI
- 1S/C14H11N3OS/c18-12-5-3-11(4-6-12)16-14-17-13(9-19-14)10-2-1-7-15-8-10/h1-9,18H,(H,16,17)
- Synonyms
- 4-{[4-(3-Pyridinyl)-1,3-thiazol-2-yl]amino}phenol|4-(4-Pyridin-3-yl-thiazol-2-ylamino)-phenol|Cambridge id 5745781|4-...
- 4-(4-Phenylthiazol-2-ylamino)phenol◐ Made to order · 8–12 wks Item #: P668408View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol
- SMILES
- C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)O
- InChIKey
- DERMXGZWGLKTNH-UHFFFAOYSA-N
- InChI
- 1S/C15H12N2OS/c18-13-8-6-12(7-9-13)16-15-17-14(10-19-15)11-4-2-1-3-5-11/h1-10,18H,(H,16,17)
- Synonyms
- Phenol, 4-[(4-phenyl-2-thiazolyl)amino]-|4-(4-Phenylthiazol-2-ylamino)phenol|4-[(4-Phenyl-2-thiazolyl)amino]phenol
- 4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine◐ Made to order · 8–12 wks Item #: M669242View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
- SMILES
- CN1CCN(CC1)C2=NC(=NC=C2)N
- InChIKey
- XEKHYAPKOUIALX-UHFFFAOYSA-N
- InChI
- 1S/C9H15N5/c1-13-4-6-14(7-5-13)8-2-3-11-9(10)12-8/h2-3H,4-7H2,1H3,(H2,10,11,12)
- Synonyms
- 4-(4-METHYLPIPERAZIN-1-YL)PYRIMIDIN-2-AMINE|2-Pyrimidinamine, 4-(4-methyl-1-piperazinyl)-|2-Pyrimidinamine,4-(4-methy...
- 4-(4-Chlorophenyl)-1H-1,2,3-triazole◐ Made to order · 8–12 wks Item #: C668326View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-chlorophenyl)-2H-triazole
- SMILES
- C1=CC(=CC=C1C2=NNN=C2)Cl
- InChIKey
- CGWXLIIVSXHAOP-UHFFFAOYSA-N
- InChI
- 1S/C8H6ClN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
- Synonyms
- 4-(4-Chlorophenyl)-1H-1,2,3-triazole|4-(4-chlorophenyl)-2H-triazole|5-(4-chlorophenyl)-1H-1,2,3-triazole|1H-1,2,3-Tri...
- 4-(4-Methoxyphenyl)-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrileFormula: C16H14N2OS Molecular Weight: 282.4◐ Made to order · 8–12 wks Item #: M668363View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-methoxyphenyl)-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
- SMILES
- COC1=CC=C(C=C1)C2=C(C(=S)NC3=C2CCC3)C#N
- InChIKey
- IVCIQZKVLKGZAG-UHFFFAOYSA-N
- InChI
- 1S/C16H14N2OS/c1-19-11-7-5-10(6-8-11)15-12-3-2-4-14(12)18-16(20)13(15)9-17/h5-8H,2-4H2,1H3,(H,18,20)
- Synonyms
- 4-(4-methoxyphenyl)-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile|4-(4-Methoxy-phenyl)-2-thi...
- 4-(Benzenesulfonamidomethyl)benzenesulfonamideCAS: 91662-91-8 Formula: C13H14N2O4S2 Molecular Weight: 326.4◐ Made to order · 8–12 wks Item #: B668453View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(benzenesulfonamidomethyl)benzenesulfonamide
- SMILES
- C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)S(=O)(=O)N
- InChIKey
- WXGMACVQSZVIDO-UHFFFAOYSA-N
- InChI
- 1S/C13H14N2O4S2/c14-20(16,17)12-8-6-11(7-9-12)10-15-21(18,19)13-4-2-1-3-5-13/h1-9,15H,10H2,(H2,14,16,17)
- Synonyms
- 4-(benzenesulfonamidomethyl)benzenesulfonamide|4-(benzenesulfonamidomethyl)benzene-1-sulfonamide|Cambridge id 6101292...
- 4-(Benzylideneamino)benzenesulfonamideCAS: 5877-53-2 Formula: C13H12N2O2S Molecular Weight: 260.31◐ Made to order · 8–12 wks Item #: B668238View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(benzylideneamino)benzenesulfonamide
- SMILES
- C1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N
- InChIKey
- OPUFYXLEFFRGSQ-UHFFFAOYSA-N
- InChI
- 1S/C13H12N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17)
- Synonyms
- 4-(benzylideneamino)benzenesulfonamide|4-benzylideneamino-benzenesulfonamide|N-Benzylidene-4-sulfamoylaniline|Sulfani...
- 4-(Benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine◐ Made to order · 8–12 wks Item #: B668354View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine
- SMILES
- COC1=CC=C(C=C1)CCCN2CCC(CC2)COC(C3=CC=CC=C3)C4=CC=CC=C4
- InChIKey
- WRTXEGOLODUQIE-UHFFFAOYSA-N
- InChI
- 1S/C29H35NO2/c1-31-28-16-14-24(15-17-28)9-8-20-30-21-18-25(19-22-30)23-32-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,25,29H,8-9,18-23H2,1H3
- Synonyms
- UK 78282|UK-78282|UK-78282 monohydrochloride|4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine|4-[(Diph...
- 4-(Allylamino)-3-nitrobenzoic acid◐ Made to order · 8–12 wks Item #: A669158View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-nitro-4-(prop-2-enylamino)benzoic acid
- SMILES
- C=CCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
- InChIKey
- CLXPQLMFDNLGKL-UHFFFAOYSA-N
- InChI
- 1S/C10H10N2O4/c1-2-5-11-8-4-3-7(10(13)14)6-9(8)12(15)16/h2-4,6,11H,1,5H2,(H,13,14)
- Synonyms
- 4-(allylamino)-3-nitrobenzoic acid|3-nitro-4-(prop-2-enylamino)benzoic Acid|3-Nitro-4-allylaminobenzoic acid|4-(allyl...
- 4-(5-{4-[Dimethyl(prop-2-enyl)ammonio]phenyl}-3-oxopentyl)-N,N-dimethyl-N-prop-2-enylbenzenaminiumFormula: C27H38N2O⁺2 Molecular Weight: 406.6◐ Made to order · 8–12 wks Item #: D667773View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [4-[5-[4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-3-oxopentyl]phenyl]-dimethyl-prop-2-enylazanium
- SMILES
- C[N+](C)(CC=C)C1=CC=C(C=C1)CCC(=O)CCC2=CC=C(C=C2)[N+](C)(C)CC=C
- InChIKey
- ZAEXMNKDGJNLTA-UHFFFAOYSA-N
- InChI
- 1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2
- Synonyms
- 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM|EBW|BW284C51 catio...
- 4-(5-Formyl-imidazol-1-ylmethyl)-benzonitrile◐ Made to order · 8–12 wks Item #: F669105View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(5-formylimidazol-1-yl)methyl]benzonitrile
- SMILES
- C1=CC(=CC=C1CN2C=NC=C2C=O)C#N
- InChIKey
- AMUOEEKBBOOOCV-UHFFFAOYSA-N
- InChI
- 1S/C12H9N3O/c13-5-10-1-3-11(4-2-10)7-15-9-14-6-12(15)8-16/h1-4,6,8-9H,7H2
- Synonyms
- 4-((5-formyl-1h-imidazol-1-yl)methyl)benzonitrile|4-(5-FORMYL-IMIDAZOL-1-YLMETHYL)-BENZONITRILE|4-[(5-formylimidazol-...
- 4-(Fluorophenyl)-1-cyclopropylmethyl-5-(2-amino-4-pyrimidinyl)imidazoleCAS: 165806-51-9 Formula: C17H16FN5 Molecular Weight: 309.34◐ Made to order · 8–12 wks Item #: F667818View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
- SMILES
- C1CC1CN2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F
- InChIKey
- DFEYXQGDDCDXJK-UHFFFAOYSA-N
- InChI
- 1S/C17H16FN5/c18-13-5-3-12(4-6-13)15-16(14-7-8-20-17(19)22-14)23(10-21-15)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H2,19,20,22)
- Synonyms
- SB-218655|4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE|4-(1-(cyclopropylmethyl)-4-(4-fluor...
![4-(4-Methoxyphenyl)-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile - CAS No(M668363) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/M/6/M668363.jpg)
![4-(Benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine - CAS No(191217-42-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/B/6/B668354.jpg)
![4-(5-{4-[Dimethyl(prop-2-enyl)ammonio]phenyl}-3-oxopentyl)-N,N-dimethyl-N-prop-2-enylbenzenaminium - CAS No(D667773) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/D/6/D667773.jpg)
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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.
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