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
- N4-Sulfanilylsulfanilamide◐ Made to order · 8–12 wks Item #: N667944View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-amino-N-(4-sulfamoylphenyl)benzenesulfonamide
- SMILES
- C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N
- InChIKey
- GCQZFVAHUZIDRP-UHFFFAOYSA-N
- InChI
- 1S/C12H13N3O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)
- Synonyms
- 4-amino-N-(4-sulfamoylphenyl)benzenesulfonamide|N4-Sulfanilylsulfanilamide|Disulon|4-amino-N-[4-(aminosulfonyl)phenyl...
- NanaomycinFormula: C16H14O6 Molecular Weight: 302.28◐ Made to order · 8–12 wks Item #: N667897View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid
- SMILES
- CC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O
- InChIKey
- ZCJHPTKRISJQTN-UHFFFAOYSA-N
- InChI
- 1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)
- Synonyms
- NANAOMYCIN|2-(9-Hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid|2-(9-hydroxy-1-methyl-...
- Piperidine-1-carboximidamide◐ Made to order · 8–12 wks Item #: P668145View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- piperidine-1-carboximidamide
- SMILES
- C1CCN(CC1)C(=N)N
- InChIKey
- QUUYRYYUKNNNNS-UHFFFAOYSA-N
- InChI
- 1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)
- Synonyms
- piperidine-1-carboximidamide|Piperidine-1-carboxamidine|1-Piperidinecarboximidamide|amidinopiperdine|amidinopiperidin...
- N-[5-(2-Chloro-benzyl)-thiazol-2-yl]-2,2-diphenyl-acetamideCAS: 5325-06-4 Formula: C24H19ClN2OS Molecular Weight: 418.9◐ Made to order · 8–12 wks Item #: N668656View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
- SMILES
- C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4Cl
- InChIKey
- PCCRSEBWEGGETI-UHFFFAOYSA-N
- InChI
- 1S/C24H19ClN2OS/c25-21-14-8-7-13-19(21)15-20-16-26-24(29-20)27-23(28)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,16,22H,15H2,(H,26,27,28)
- Synonyms
- N-[5-(2-Chloro-benzyl)-thiazol-2-yl]-2,2-diphenyl-acetamide|N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-2,2-diphenylaceta...
- 1-(3-Hydroxypropyl)-2-[(3-Nitrobenzoyl)amino]-1h-Benzimidazol-5-Yl PivalateCAS: 509093-60-1 Formula: C22H24N4O6 Molecular Weight: 440.4◐ Made to order · 8–12 wks Item #: H669171View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]benzimidazol-5-yl] 2,2-dimethylpropanoate
- SMILES
- CC(C)(C)C(=O)OC1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CCCO
- InChIKey
- CEAYRKIZESVQSN-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- IRAK inhibitor 5|1-(3-Hydroxypropyl)-2-[(3-Nitrobenzoyl)amino]-1h-Benzimidazol-5-Yl Pivalate|[1-(3-hydroxypropyl)-2-[...
- Cyclopropanecarboxylic acid, 2-(3'-(3-((cyclopropylamino)carbonyl)-4-oxo-1,8-naphthyridin-1(4H)-yl)-3-fluoro(1,1'-biphenyl)-4-yl)-, (1R,2R)-◐ Made to order · 8–12 wks Item #: C669162View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,2R)-2-[4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
- SMILES
- C1CC1NC(=O)C2=CN(C3=C(C2=O)C=CC=N3)C4=CC=CC(=C4)C5=CC(=C(C=C5)C6CC6C(=O)O)F
- InChIKey
- PSYPBAHXIIVDCJ-FCHUYYIVSA-N
- InChI
- show more
- Synonyms
- MK-0952|Cyclopropanecarboxylic acid, 2-(3'-(3-((cyclopropylamino)carbonyl)-4-oxo-1,8-naphthyridin-1(4H)-yl)-3-fluoro(...
- Ulodesine, Purine nucleoside phosphorylase inhibitor◐ Made to order · 8–12 wks Item #: U669307View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
- SMILES
- C1C(C(CN1CC2=CNC3=C2N=CNC3=O)O)CO
- InChIKey
- AFNHHLILYQEHKK-BDAKNGLRSA-N
- InChI
- 1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1
- Synonyms
- ULODESINE|DADMe-immucillin H|Ulodesine [USAN]|R-3421|BCX-4208|Ulodesine (USAN)|7-(((3R,4R)-3-Hydroxy-4-(hydroxymethyl...
- Ketohexokinase inhibitor 1◐ Made to order · 8–12 wks Item #: K669283View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(1S,5R)-3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
- SMILES
- CC1CCN1C2=NC(=CC(=N2)N3CC4C(C3)C4CC(=O)O)C(F)(F)F
- InChIKey
- MDUYWDNWFXSMJJ-OFLUOSHYSA-N
- InChI
- 1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9?,10-,11+/m0/s1
- Synonyms
- Ketohexokinase inhibitor 1|PF-06835919|2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrim...
- Zicronapine◐ Made to order · 8–12 wks Item #: Z669145View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(1R,3S)-6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
- SMILES
- CC1(CN(CCN1C)C2CC(C3=C2C=C(C=C3)Cl)C4=CC=CC=C4)C
- InChIKey
- BYPMJBXPNZMNQD-PZJWPPBQSA-N
- InChI
- 1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3/t19-,21+/m0/s1
- Synonyms
- Zicronapine|4-((1R,3S)-6-Chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine|4-[(1R,3S)-6-chloro-3-p...
- 5-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide◐ Made to order · 8–12 wks Item #: D668036View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
- SMILES
- CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
- InChIKey
- MJRGSRRZKSJHOE-UHFFFAOYSA-N
- InChI
- 1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4/h5-10,19H,1-4H3
- Synonyms
- Bms 182874|BMS-182874|5-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide|1-Naphthalenesulfonami...
- Phenyl sulfamateCAS: 19792-91-7 EC Number: 803-089-1 PubChem CID: 11030308 Formula: C6H7NO3S Molecular Weight: 173.19◐ Made to order · 8–12 wks Item #: P669116View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- phenyl sulfamate
- SMILES
- C1=CC=C(C=C1)OS(=O)(=O)N
- InChIKey
- XOIYZMDJFLKIEI-UHFFFAOYSA-N
- InChI
- 1S/C6H7NO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
- Synonyms
- phenyl sulfamate|phenylsulfamate|Sulfamic acid phenyl ester|Sulfamic acid, phenyl ester
- Phosphonic acid, p-((4-((4-hydroxy-3-(1-methylethyl)phenyl)methyl)-3,5-dimethylphenoxy)methyl)-◐ Made to order · 8–12 wks Item #: P669198View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methylphosphonic acid
- SMILES
- CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCP(=O)(O)O
- InChIKey
- SVXLLCKJKRYATC-UHFFFAOYSA-N
- InChI
- 1S/C19H25O5P/c1-12(2)17-9-15(5-6-19(17)20)10-18-13(3)7-16(8-14(18)4)24-11-25(21,22)23/h5-9,12,20H,10-11H2,1-4H3,(H2,21,22,23)
- Synonyms
- MB-07344|Phosphonic acid, p-((4-((4-hydroxy-3-(1-methylethyl)phenyl)methyl)-3,5-dimethylphenoxy)methyl)-|((4-(4-Hydro...
![N-[5-(2-Chloro-benzyl)-thiazol-2-yl]-2,2-diphenyl-acetamide - CAS No(5325-06-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/N/6/N668656.jpg)
![1-(3-Hydroxypropyl)-2-[(3-Nitrobenzoyl)amino]-1h-Benzimidazol-5-Yl Pivalate - CAS No(509093-60-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/H/6/H669171.jpg)
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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.
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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.
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