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
24,635Navigate 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
2,814PROTAC 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
102,621Explore 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
- O-304CAS: 1261289-04-6 Formula: C16H11Cl2N3O2S Molecular Weight: 380.25● In Stock — US warehouse, ships to EU* Item #: O412548View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
- SMILES
- C1=CC(=CC=C1CN2C(=O)N=C(S2)NC(=O)C3=CC=C(C=C3)Cl)Cl
- InChIKey
- WEDWLYRQKUTOAX-UHFFFAOYSA-N
- InChI
- 1S/C16H11Cl2N3O2S/c17-12-5-1-10(2-6-12)9-21-16(23)20-15(24-21)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22,23)
- Synonyms
- O-304XBenzamide,4-chloro-N-[2-[(4-chlorophenyl)methyl]-2,3-dihydro-3-oxo-1,2,4-thiadiazol-5-yl]-
- O-304CAS: 1261289-04-6 Formula: C16H11Cl2N3O2S Molecular Weight: 380.2510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: O421096View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
- SMILES
- C1=CC(=CC=C1CN2C(=O)N=C(S2)NC(=O)C3=CC=C(C=C3)Cl)Cl
- InChIKey
- WEDWLYRQKUTOAX-UHFFFAOYSA-N
- InChI
- 1S/C16H11Cl2N3O2S/c17-12-5-1-10(2-6-12)9-21-16(23)20-15(24-21)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22,23)
- Synonyms
- O-304XBenzamide,4-chloro-N-[2-[(4-chlorophenyl)methyl]-2,3-dihydro-3-oxo-1,2,4-thiadiazol-5-yl]-
- O-6-Benzylguanine10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: O422422View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-phenylmethoxy-7H-purin-2-amine
- SMILES
- C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N
- InChIKey
- KRWMERLEINMZFT-UHFFFAOYSA-N
- InChI
- 1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
- Synonyms
- UNII-01KC87F8FE | 6-BENZYLGUANINE | AC-1076 | GLXC-25126 | NSC 637037 | Purine, 2-amino-6-(benzyloxy)- (, ) | DTXSID2...
- O-AcetylserineCAS: 5147-00-2 Formula: C5H9NO4 Molecular Weight: 147.1310mM in DMSO● In Stock — US warehouse, ships to EU* Item #: O424423View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-3-acetyloxy-2-aminopropanoic acid
- SMILES
- CC(=O)OCC(C(=O)O)N
- InChIKey
- VZXPDPZARILFQX-BYPYZUCNSA-N
- InChI
- 1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
- Synonyms
- A913073 | AKOS006238075 | CHEBI:17981 | MFCD00037771 | O-Acetyl-L-serine (H-L-Ser(Ac)-OH) | Tofacitinib des-(N-oxopro...
- O-PhosphorylethanolamineCAS: 1071-23-4 Formula: C2H8NO4P Molecular Weight: 141.0610mM in Water● In Stock — US warehouse, ships to EU* Item #: O420512View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-aminoethyl dihydrogen phosphate
- SMILES
- C(COP(=O)(O)O)N
- InChIKey
- SUHOOTKUPISOBE-UHFFFAOYSA-N
- InChI
- 1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
- Synonyms
- Ethanol, 2-amino-, dihydrogen phosphate (ester) | O-Phosphorylethanolamine | Ethanol, 2-amino-, phosphate | NSC 25416...
- O4I1CAS: 175135-47-4 Formula: C16H15NO2 Molecular Weight: 253.3● In Stock — US warehouse, ships to EU* Item #: O413882View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-[(4-methoxyphenyl)methoxy]phenyl]acetonitrile
- SMILES
- COC1=CC=C(C=C1)COC2=CC=C(C=C2)CC#N
- InChIKey
- QJEJLARVLKHYFW-UHFFFAOYSA-N
- InChI
- 1S/C16H15NO2/c1-18-15-6-4-14(5-7-15)12-19-16-8-2-13(3-9-16)10-11-17/h2-9H,10,12H2,1H3
- Synonyms
- A881638 | EX-A5623 | Z291786494 | 2-(4-[(4-Methoxybenzyl)oxy]phenyl)acetonitrile | Maybridge1_001630 | HY-18771 | 2-(...
- O4I1CAS: 175135-47-4 Formula: C16H15NO2 Molecular Weight: 253.310mM in DMSO● In Stock — US warehouse, ships to EU* Item #: O422146View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-[(4-methoxyphenyl)methoxy]phenyl]acetonitrile
- SMILES
- COC1=CC=C(C=C1)COC2=CC=C(C=C2)CC#N
- InChIKey
- QJEJLARVLKHYFW-UHFFFAOYSA-N
- InChI
- 1S/C16H15NO2/c1-18-15-6-4-14(5-7-15)12-19-16-8-2-13(3-9-16)10-11-17/h2-9H,10,12H2,1H3
- Synonyms
- A881638 | EX-A5623 | Z291786494 | 2-(4-[(4-Methoxybenzyl)oxy]phenyl)acetonitrile | Maybridge1_001630 | HY-18771 | 2-(...
- O4I2CAS: 165682-93-9 Formula: C12H11ClN2O2S Molecular Weight: 282.7510mM in DMSO◐ .Made to order · 8–12 wks Item #: O422056View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate
- SMILES
- CCOC(=O)C1=CSC(=N1)NC2=CC=C(C=C2)Cl
- InChIKey
- ULUBAPWNHROTEU-UHFFFAOYSA-N
- InChI
- 1S/C12H11ClN2O2S/c1-2-17-11(16)10-7-18-12(15-10)14-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,14,15)
- Synonyms
- BP-12618 | 4-Thiazolecarboxylic acid, 2-[(4-chlorophenyl)amino]-, ethyl ester | CCG-267272 | O4I2, >=98% (HPLC) | DTX...
- O6-[4-(Trifluoroacetamidomethyl)benzyl]guanineCAS: 680622-70-2 Formula: C15H13F3N6O2 Molecular Weight: 366.310mM in DMSO● In Stock — US warehouse, ships to EU* Item #: O425420View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
- SMILES
- C1=CC(=CC=C1CNC(=O)C(F)(F)F)COC2=NC(=NC3=C2NC=N3)N
- InChIKey
- AQFWAWXGBQPBIA-UHFFFAOYSA-N
- InChI
- 1S/C15H13F3N6O2/c16-15(17,18)13(25)20-5-8-1-3-9(4-2-8)6-26-12-10-11(22-7-21-10)23-14(19)24-12/h1-4,7H,5-6H2,(H,20,25)(H3,19,21,22,23,24)
- Synonyms
- 680622-70-2|PIN1 inhibitor API-1|O6-[4-(Trifluoroacetamidomethyl)benzyl]guanine|N-(4-(((2-Amino-1H-purin-6-yl)oxy)met...
- O8 OGG1 InhibitorCAS: 350997-39-6 Formula: C9H6Cl2N2OS Molecular Weight: 261.1310mM in DMSO◐ .Made to order · 8–12 wks Item #: O423560View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,4-dichloro-1-benzothiophene-2-carbohydrazide
- SMILES
- C1=CC2=C(C(=C1)Cl)C(=C(S2)C(=O)NN)Cl
- InChIKey
- HSSHUDKWJRJKPV-UHFFFAOYSA-N
- InChI
- 1S/C9H6Cl2N2OS/c10-4-2-1-3-5-6(4)7(11)8(15-5)9(14)13-12/h1-3H,12H2,(H,13,14)
- Synonyms
- AB00102917-01 | AKOS003956278 | BBL037375 | Cambridge id 6132595 | 3,4-dichlorobenzo[b]thiophene-2-carbohydrazide | H...
- OAC-2CAS: 6019-39-2 Formula: C15H12N2O Molecular Weight: 236.2710mM in DMSO● In Stock — US warehouse, ships to EU* Item #: O424999View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(1H-indol-5-yl)benzamide
- SMILES
- C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NC=C3
- InChIKey
- JCAFGYWSIWYMOX-UHFFFAOYSA-N
- InChI
- 1S/C15H12N2O/c18-15(11-4-2-1-3-5-11)17-13-6-7-14-12(10-13)8-9-16-14/h1-10,16H,(H,17,18)
- Synonyms
- OAC2|N-(1H-indol-5-yl)benzamide|6019-39-2|5-benzoylaminoindole|N-1h-indol-5-yl-benzamide|OAC-2|5-Benzamidoindole|Mayb...
- OAC1CAS: 300586-90-7 Formula: C14H11N3O Molecular Weight: 237.2610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: O423084View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide
- SMILES
- C1=CC=C(C=C1)C(=O)NC2=NC=C3C(=C2)C=CN3
- InChIKey
- HWJRIFZDXJKJJN-UHFFFAOYSA-N
- InChI
- 1S/C14H11N3O/c18-14(10-4-2-1-3-5-10)17-13-8-11-6-7-15-12(11)9-16-13/h1-9,15H,(H,16,17,18)
- Synonyms
- OAC-1；Oct4-activating Compound 1；N-1H-Pyrrolo[2,3-c]pyridin-5-ylbenzamide
![O6-[4-(Trifluoroacetamidomethyl)benzyl]guanine](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/O/4/O425420.png)
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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.
How do I find a specific compound within By Target/Pathway/Disease?
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.