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).
By Target / Pathway / Disease
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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
24,642Navigate 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
102,634Explore 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)
19,701Find 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 (where available)—to build screening and validation sets.
By Disease (DOID)
8,782Shop 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.
Popular Products
- Benidipine HClSolid ≥98%(HPLC)● In Stock — US Item #: B129524View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
- SMILES
- CC1=C(C(C(=C(N1)C)C(=O)OC2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl
- InChIKey
- KILKDKRQBYMKQX-MIPPOABVSA-N
- InChI
- show more
- Synonyms
- SMR000469192 | BCP0726000287 | benidipine hydrochloride | Benidipine (+-)-alpha-form hydrochloride | 6-methyl-2-methy...
- Alfuzosin hydrochloride, Adrenergic receptor alpha-1 agonistSolid ≥98%● In Stock — US Item #: A129804View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride
- SMILES
- CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.Cl
- InChIKey
- YTNKWDJILNVLGX-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 5-Amino-2-chlorobenzenesulphonic acid | Alfuzosin for peak identification | DTXCID1025514 | Q27114856 | Tox21_110701_...
- Sodium glycodeoxycholateCAS: 16409-34-0 EC Number: 240-455-4 PubChem CID: 23688465 Formula: C26H42NNaO5 Molecular Weight: 471.61Solid ≥97%● In Stock — US Item #: S102123View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]
- InChIKey
- VMSNAUAEKXEYGP-YEUHZSMFSA-M
- InChI
- show more
- Synonyms
- EX-A3817 | N-((3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINOACETATE | sodium N-(3alpha,12alpha-dihydr...
- RCM 1● In Stock — US Item #: R288511View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4,6-dithiophen-2-ylpyridine-3-carbonitrile
- SMILES
- C1=CSC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=CS3)C4=CC=CS4
- InChIKey
- DCCYTKKDAZEVLY-UHFFFAOYSA-N
- InChI
- 1S/C20H12N2OS4/c21-11-14-13(17-4-1-7-24-17)10-15(18-5-2-8-25-18)22-20(14)27-12-16(23)19-6-3-9-26-19/h1-10H,12H2
- Synonyms
- 2-[[2-Oxo-2-(2-thienyl)ethyl]thio]-4,6-di-2-thienyl-3-pyridinecarbonitrile | RCM-1 | 2-{[2-Oxo-2-(thiophen-2-yl)ethyl...
- Fmoc-4-Amc-OHCAS: 188715-40-4 Formula: C23H25NO4 Molecular Weight: 379.46≥97% mixture of isomers● In Stock — US Item #: F338857View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
- SMILES
- C1CC(CCC1CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
- InChIKey
- MLMIBGARTUSGND-UHFFFAOYSA-N
- InChI
- 1S/C23H25NO4/c25-22(26)16-11-9-15(10-12-16)13-24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21H,9-14H2,(H,24,27)(H,25,26)
- Synonyms
- Fmoc-4-Amc-OH | GS-6399 | AKOS015910380 | FT-0679733 | SCHEMBL119618 | trans-4-(Fmoc-aminomethyl)cyclohexanecarboxyli...
- Protein Tyrosine Kinase Inhibitors, Vascular endothelial growth factor receptor 2 inhibitorSolid ≥99%● In Stock — US Item #: A127726View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;methanesulfonic acid
- SMILES
- CS(=O)(=O)O.C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4
- InChIKey
- FYJROXRIVQPKRY-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol, 98% | AC-35390 | YN968D1 | YN-968D1 | SCHEMBL21847695 | N-[4-(1-Cyanocyclopent...
- Doxylamine Succinate, Histamine H1 receptor antagonistSolid ≥99%● In Stock — US Item #: D129627View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
- SMILES
- CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O
- InChIKey
- KBAUFVUYFNWQFM-UHFFFAOYSA-N
- InChI
- 1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)
- Synonyms
- MLS000758288 | DOXYLAMINE SUCCINATE [MI] | SMR000058436 | Basic Care Sleep Aid | Doxylamine.succinate | Doxy-sleep-ai...
- Benserazide hydrochlorideSolid ≥98%● In Stock — US Item #: B101489View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide;hydrochloride
- SMILES
- C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O.Cl
- InChIKey
- ULFCBIUXQQYDEI-UHFFFAOYSA-N
- InChI
- 1S/C10H15N3O5.ClH/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16;/h1-2,6,12,14-17H,3-4,11H2,(H,13,18);1H
- Synonyms
- HMS1570L18 | CHEBI:31262 | SB44383 | SCHEMBL364720 | Serine, 2-[(2,3,4-trihydroxyphenyl)methyl]hydrazide, hydrochlori...
- Phenamil methanesulfonate◐ .Made to order · 8–12 wks Item #: P287560View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,5-diamino-6-chloro-N-(N'-phenylcarbamimidoyl)pyrazine-2-carboxamide;methanesulfonic acid
- SMILES
- CS(=O)(=O)O.C1=CC=C(C=C1)N=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N
- InChIKey
- MHPIZTURFVSLTJ-UHFFFAOYSA-N
- InChI
- 1S/C12H12ClN7O.CH4O3S/c13-8-10(15)19-9(14)7(18-8)11(21)20-12(16)17-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,(H4,14,15,19)(H3,16,17,20,21);1H3,(H,2,3,4)
- Synonyms
- MS-26843 | HMS2234A15 | MLS000860083 | NCGC00016186-02 | SR-01000075343 | (4,8'-BI-2H-1-BENZOPYRAN)-3,3',5,5',7,7'-HE...
- Ovomucoid,Trypsin InhibitorAnimal Free ? Animal-free — produced without animal-derived components to reduce contamination risk. Use in biomanufacturing and culture avoiding animal-origin material. From Soybean● In Stock — US Item #: T113170View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- SBTI
- Hydrogenated Soybean PhospholipidsCAS: 92128-87-5 EC Number: 295-786-775-85% phosphatidylcholine (PC)● In Stock — US Item #: H304974View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- HSPC | DTXSID201018672 | MFCD00674325 | (R)-3-(Palmitoyloxy)-2-(stearoyloxy)propyl [2-(Trimethylammonio)ethyl] Phosph...
- Alaproclate hydrochlorideCAS: 60719-83-7 Formula: C13H18ClNO2.HCl Molecular Weight: 292.2◐ .Made to order · 8–12 wks Item #: A276422View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [1-(4-chlorophenyl)-2-methylpropan-2-yl] 2-aminopropanoate;hydrochloride
- SMILES
- CC(C(=O)OC(C)(C)CC1=CC=C(C=C1)Cl)N.Cl
- InChIKey
- OPAKSOWFKIUFNP-UHFFFAOYSA-N
- InChI
- 1S/C13H18ClNO2.ClH/c1-9(15)12(16)17-13(2,3)8-10-4-6-11(14)7-5-10;/h4-7,9H,8,15H2,1-3H3;1H
- Synonyms
- EU-0100127 | 2-Butenoic acid, 2-methyl-, 7-((2,3-dihydroxy-2-(1-methoxyethyl)-3-methyl-1-oxobutoxy)methyl)-2,3,5,7a-t...
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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.