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
24,635Navigate 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
102,623Explore 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)
19,695Find 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)
8,779Shop 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
- Terbutaline hemisulfate saltCAS: 23031-32-5 EC Number: 245-386-3 PubChem CID: 441334 Formula: C12H19NO3·1/2H2SO4 Molecular Weight: 274.32Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: T128967View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;sulfuric acid
- SMILES
- CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O
- InChIKey
- KFVSLSTULZVNPG-UHFFFAOYSA-N
- InChI
- 1S/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)
- Synonyms
- Sulfacyl sodium salt | bis(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol); sulfuric acid | CAS-23031-32-5 | ...
- Irsogladine Maleate● In Stock — US warehouse, ships to EU* Item #: I133615View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-but-2-enedioic acid;6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
- SMILES
- C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl.C(=CC(=O)O)C(=O)O
- InChIKey
- PJLVTVAIERNDEQ-BTJKTKAUSA-N
- InChI
- 1S/C9H7Cl2N5.C4H4O4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7;5-3(6)1-2-4(7)8/h1-3H,(H4,12,13,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-
- Synonyms
- 66GVU60EPQ | s-Triazine, 2,4-diamino-6-(2,5-dichlorophenyl)-, maleate | (Z)-but-2-enedioic acid;6-(2,5-dichlorophenyl...
- Tenofovir disoproxil fumarate, Human immunodeficiency virus type 1 reverse transcriptase inhibitor● In Stock — US warehouse, ships to EU* Item #: T302717View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid
- SMILES
- CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O
- InChIKey
- VCMJCVGFSROFHV-WZGZYPNHSA-N
- InChI
- show more
- Synonyms
- DTXCID804289 | Tenofovir Disoproxil Fumarate | TENOFOVIR DISOPROXIL FUMARATE [EMA EPAR] | Cibacete Violet 2R | SMR003...
- IrsogladineCAS: 57381-26-7 Formula: C9H7Cl2N5 Molecular Weight: 256.09Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: I129957View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
- SMILES
- C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl
- InChIKey
- ATCGGEJZONJOCL-UHFFFAOYSA-N
- InChI
- 1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)
- Synonyms
- 2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine | AS-11741 | cid_5282435 | Pharmakon1600-01502352 | Q15634081 | 6-(2,5-...
- Isamoltane hemifumarateCAS: 55050-95-8 Formula: C16H22N2O2 Molecular Weight: 274.36◐ .Made to order · 8–12 wks Item #: I337666View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol
- SMILES
- CC(C)NCC(COC1=CC=CC=C1N2C=CC=C2)O
- InChIKey
- XVTVPGKWYHWYAD-UHFFFAOYSA-N
- InChI
- 1S/C16H22N2O2/c1-13(2)17-11-14(19)12-20-16-8-4-3-7-15(16)18-9-5-6-10-18/h3-10,13-14,17,19H,11-12H2,1-2H3
- Synonyms
- ()-Isamoltane | DTXSID5045671 | BRD-A26845397-001-01-4 | Benzhydrol, 2-chloro-.alpha.-(2-(dimethylamino)ethyl)- | 1-(...
- Isoalantolactone● In Stock — US warehouse, ships to EU* Item #: I350991View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
- SMILES
- CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C
- InChIKey
- CVUANYCQTOGILD-QVHKTLOISA-N
- InChI
- 1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15-/m1/s1
- Synonyms
- (3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylenedecahydronaphtho[2,3-b]furan-2(3H)-one | (+)-Isoalantolactone | (+)-Isoala...
- Tenovin-1● In Stock — US warehouse, ships to EU* Item #: T125146View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(4-acetamidophenyl)carbamothioyl]-4-tert-butylbenzamide
- SMILES
- CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C
- InChIKey
- WOWJIWFCOPZFGV-UHFFFAOYSA-N
- InChI
- 1S/C20H23N3O2S/c1-13(24)21-16-9-11-17(12-10-16)22-19(26)23-18(25)14-5-7-15(8-6-14)20(2,3)4/h5-12H,1-4H3,(H,21,24)(H2,22,23,25,26)
- Synonyms
- Q27166342 | SR-01000946350-1 | CCG-208685 | N-(4-acetamidophenylcarbamothioyl)-4-tert-butylbenzamide | HY-13423 | SW1...
- Tenovin-6● In Stock — US warehouse, ships to EU* Item #: T338048View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-tert-butyl-N-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide
- SMILES
- CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C
- InChIKey
- BVJSXSQRIUSRCO-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 1011557-82-6 | SR-01000946351 | EX-A350 | AS-16762 | 4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoicacid | SR-0100094...
- Org 25543 hydrochlorideCAS: 495076-64-7 Formula: C₂₄H₃₂lN₂O₄.HCl Molecular Weight: 448.98◐ .Made to order · 8–12 wks Item #: O287212View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide;hydrochloride
- SMILES
- CN(C)C1(CCCC1)CNC(=O)C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC.Cl
- InChIKey
- NIPQJILJYQVZJR-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- N-[[1-(Dimethylamino)cyclopentyl]methyl]-3,5-dimethoxy-4-(phenylmethoxy)benzamide hydrochloride
- Terbutaline hemisulfateCAS: 23031-32-5 EC Number: 245-386-3 PubChem CID: 441334 Formula: C12H19NO3·1/2H2SO4 Molecular Weight: 274.32● In Stock — US warehouse, ships to EU* Item #: T276601View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;sulfuric acid
- SMILES
- CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O
- InChIKey
- KFVSLSTULZVNPG-UHFFFAOYSA-N
- InChI
- 1S/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)
- Synonyms
- NSC-757336 | KWD-2019 | 576PU70Y8E | Terbutaline hemisulfate salt | UNII-576PU70Y8E | DTXSID3045437 | Bricanyl | KWD ...
- L-655,708CAS: 130477-52-0 Formula: C18H19N3O4 Molecular Weight: 341.37● In Stock — US warehouse, ships to EU* Item #: L286566View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl (7S)-15-methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
- SMILES
- CCOC(=O)C1=C2C3CCCN3C(=O)C4=C(N2C=N1)C=CC(=C4)OC
- InChIKey
- YKYOQIXTECBVBB-AWEZNQCLSA-N
- InChI
- 1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
- Synonyms
- L-655708 | SDCCGSBI-0050678.P002 | BDBM50067424 | EINECS 219-887-2 | CCG-204785 | L-655708 | LP00700 | 2'-desoxyinosi...
- Terazosin HydrochlorideCAS: 63074-08-8 EC Number: 613-138-7 PubChem CID: 44383 Formula: C19H25N5O4 · HCl Molecular Weight: 423.89● In Stock — US warehouse, ships to EU* Item #: T136685View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
- SMILES
- COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC.Cl
- InChIKey
- IWSWDOUXSCRCKW-UHFFFAOYSA-N
- InChI
- 1S/C19H25N5O4.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22);1H
- Synonyms
- Zayasel | 4-Amino-6,7-dimethoxy-2-[4-(tetrahydro-2-furoyl)-1-piperazinyl]quinazoline Hydrochloride | Piperazine,1-(4-...
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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.