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
24,639Navigate 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-(6-Methoxynaphthalen-2-yl)-4-oxobutanoic acid◐ Made to order · 8–12 wks Item #: M668189View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(6-methoxynaphthalen-2-yl)-4-oxobutanoic acid
- SMILES
- COC1=CC2=C(C=C1)C=C(C=C2)C(=O)CCC(=O)O
- InChIKey
- YZMQJAKSFUZRNH-UHFFFAOYSA-N
- InChI
- 1S/C15H14O4/c1-19-13-5-4-10-8-12(3-2-11(10)9-13)14(16)6-7-15(17)18/h2-5,8-9H,6-7H2,1H3,(H,17,18)
- Synonyms
- 4-(6-methoxynaphthalen-2-yl)-4-oxobutanoic acid|4-(6-methoxy-2-naphthyl)-4-oxobutanoic acid|4-(6-Methoxy-naphthalen-2...
- 4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amineCAS: 21344-98-9 Formula: C16H14N2OS Molecular Weight: 282.4◐ Made to order · 8–12 wks Item #: M668409View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
- SMILES
- COC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC=C3
- InChIKey
- AKKBBBALMHJWAE-UHFFFAOYSA-N
- InChI
- 1S/C16H14N2OS/c1-19-14-9-7-12(8-10-14)15-11-20-16(18-15)17-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
- Synonyms
- 4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine|4-(4-methoxyphenyl)-N-phenylthiazol-2-amine|N-phenyl-4-methoxyphenyl...
- 4-(Benzylamino)benzoic acid◐ Made to order · 8–12 wks Item #: B668552View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(benzylamino)benzoic acid
- SMILES
- C1=CC=C(C=C1)CNC2=CC=C(C=C2)C(=O)O
- InChIKey
- NYNAMTQEBMCHNG-UHFFFAOYSA-N
- InChI
- 1S/C14H13NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)
- Synonyms
- 4-(benzylamino)benzoic acid|4-Benzylamino-benzoic acid|Benzoic acid, 4-[(phenylmethyl)amino]-|4-[(phenylmethyl)amino]...
- 4-({[3-Cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)benzoic acidCAS: 336179-89-6 Formula: C19H11F3N2O2S2 Molecular Weight: 420.4◐ Made to order · 8–12 wks Item #: C668617View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoic acid
- SMILES
- C1=CSC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)C(=O)O
- InChIKey
- ZCALTZJTUHPIBH-UHFFFAOYSA-N
- InChI
- 1S/C19H11F3N2O2S2/c20-19(21,22)14-8-15(16-2-1-7-27-16)24-17(13(14)9-23)28-10-11-3-5-12(6-4-11)18(25)26/h1-8H,10H2,(H,25,26)
- Synonyms
- 4-({[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)benzoic acid|4-[[3-cyano-6-thiophen-2-yl-4...
- 4-(benzylideneamino)benzoic AcidCAS: 820985-82-8 Formula: C14H11NO2 Molecular Weight: 225.24◐ Made to order · 8–12 wks Item #: B668395View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(benzylideneamino)benzoic acid
- SMILES
- C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O
- InChIKey
- MREPJQZHXSDMKL-UHFFFAOYSA-N
- InChI
- 1S/C14H11NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H,(H,16,17)
- Synonyms
- 4-(benzylideneamino)benzoic Acid|Benzoic acid, 4-[(E)-(phenylmethylene)amino]-|4-(a-benzylideneamino)benzoic acid|ben...
- 4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamideFormula: C17H16N4O3S2 Molecular Weight: 388.5◐ Made to order · 8–12 wks Item #: B668677View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
- SMILES
- CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3
- InChIKey
- YMGXUJCEBOCIIT-UHFFFAOYSA-N
- InChI
- 1S/C17H16N4O3S2/c1-2-15-19-20-17(25-15)18-16(22)12-8-10-13(11-9-12)21-26(23,24)14-6-4-3-5-7-14/h3-11,21H,2H2,1H3,(H,18,20,22)
- Synonyms
- 4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide|ML009|N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(phenyls...
- 4-(aminomethyl)pyridin-3-amine Dihydrochloride◐ Made to order · 8–12 wks Item #: A669137View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(aminomethyl)pyridin-3-amine;dihydrochloride
- SMILES
- C1=CN=CC(=C1CN)N.Cl.Cl
- InChIKey
- HREWBDQQRCHSNJ-UHFFFAOYSA-N
- InChI
- 1S/C6H9N3.2ClH/c7-3-5-1-2-9-4-6(5)8;;/h1-2,4H,3,7-8H2;2*1H
- Synonyms
- 4-(aminomethyl)pyridin-3-amine Dihydrochloride|4-(aminomethyl)pyridin-3-amine;dihydrochloride|3-amino-4-aminomethylpy...
- 4-(Piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine◐ Made to order · 8–12 wks Item #: P669192View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine
- SMILES
- C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCNCC4
- InChIKey
- XTPTVAPEXHUUDR-UHFFFAOYSA-N
- InChI
- 1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2
- Synonyms
- 4-(Piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine|4-(Piperazin-1-yl)-2,6-di-(pyrrolidin-1-yl)-pyrimidine|4-piperaz...
- 4-(Naphthalen-2-ylamino)-4-oxobutanoic acid◐ Made to order · 8–12 wks Item #: N668166View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(naphthalen-2-ylamino)-4-oxobutanoic acid
- SMILES
- C1=CC=C2C=C(C=CC2=C1)NC(=O)CCC(=O)O
- InChIKey
- LYNFOUMTFFAMAN-UHFFFAOYSA-N
- InChI
- 1S/C14H13NO3/c16-13(7-8-14(17)18)15-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,15,16)(H,17,18)
- Synonyms
- 4-(naphthalen-2-ylamino)-4-oxobutanoic acid|4-(2-naphthylamino)-4-oxobutanoic acid|3-[(NAPHTHALEN-2-YL)CARBAMOYL]PROP...
- 4-(Isothiocyanatomethyl)benzene-1-sulfonamideCAS: 51929-73-8 EC Number: 190-675-9 PubChem CID: 12125208 Formula: C8H8N2O2S2 Molecular Weight: 228.3◐ Made to order · 8–12 wks Item #: I669174View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(isothiocyanatomethyl)benzenesulfonamide
- SMILES
- C1=CC(=CC=C1CN=C=S)S(=O)(=O)N
- InChIKey
- ULZLNKDNBDCKLD-UHFFFAOYSA-N
- InChI
- 1S/C8H8N2O2S2/c9-14(11,12)8-3-1-7(2-4-8)5-10-6-13/h1-4H,5H2,(H2,9,11,12)
- Synonyms
- 4-(isothiocyanatomethyl)benzene-1-sulfonamide|4-(isothiocyanatomethyl)benzenesulfonamide
- 4-(Hexyloxy)-4'-biphenylcarboxylic acid◐ Made to order · 8–12 wks Item #: H668834View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-hexoxyphenyl)benzoic acid
- SMILES
- CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
- InChIKey
- IWWNTISKHOYKAN-UHFFFAOYSA-N
- InChI
- 1S/C19H22O3/c1-2-3-4-5-14-22-18-12-10-16(11-13-18)15-6-8-17(9-7-15)19(20)21/h6-13H,2-5,14H2,1H3,(H,20,21)
- Synonyms
- 4-(Hexyloxy)-4'-biphenylcarboxylic acid|4-(4-hexoxyphenyl)benzoic Acid|4-n-Hexyloxybiphenyl-4'-carboxylic acid|4'-(he...
- 4-(Heptyloxy)-4'-biphenylcarboxylic acid◐ Made to order · 8–12 wks Item #: H668866View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-heptoxyphenyl)benzoic acid
- SMILES
- CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
- InChIKey
- BDDYPNQQJHNKSC-UHFFFAOYSA-N
- InChI
- 1S/C20H24O3/c1-2-3-4-5-6-15-23-19-13-11-17(12-14-19)16-7-9-18(10-8-16)20(21)22/h7-14H,2-6,15H2,1H3,(H,21,22)
- Synonyms
- 4-(4-heptoxyphenyl)benzoic Acid|4-(Heptyloxy)-4'-biphenylcarboxylic acid|4'-(HEPTYLOXY)-[1,1'-BIPHENYL]-4-CARBOXYLIC ...
![4-({[3-Cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)benzoic acid - CAS No(336179-89-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/C/6/C668617.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.
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.
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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.