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
24,653Navigate 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
102,665Explore 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)
19,717Find 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)
8,793Shop 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
- 6α-Methylprednisolone 21-hemisuccinate sodium salt, Glucocorticoid receptor agonistSolid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%● In Stock — US warehouse, ships to EU* Item #: M168895View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC(=O)[O-])O.[Na+]
- InChIKey
- FQISKWAFAHGMGT-SGJOWKDISA-M
- InChI
- show more
- Synonyms
- AfAE'Adaggeratrade mark?-Methylprednisolone 21-hemisuccinate (sodium salt) | M-6-P | Omnacortil | HY-B1060 | METHYLPR...
- 5-hydroxymethyl Tolterodine (PNU 200577, 5-HMT, 5-HM)CAS: 207679-81-0 Formula: C22H31NO2 Molecular Weight: 341.49● In Stock — US warehouse, ships to EU* Item #: H129983View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol
- SMILES
- CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)C
- InChIKey
- DUXZAXCGJSBGDW-HXUWFJFHSA-N
- InChI
- 1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3/t20-/m1/s1
- Synonyms
- Desfesoterodine | NCGC00346585-01 | (R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenol | AMY14591 | ...
- Astrazon Brilliant Red 4GSolid AR ? Analytical Reagent grade — high-purity chemicals meeting strict assay limits for lab analysis. Use when accuracy matters and trace impurities could skew results.● In Stock — US warehouse, ships to EU* Item #: A302650View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile;chloride
- SMILES
- CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C.[Cl-]
- InChIKey
- NJIRSTSECXKPCO-UHFFFAOYSA-M
- InChI
- 1S/C23H26N3.ClH/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;/h5-6,8-15H,7,17H2,1-4H3;1H/q+1;/p-1
- Synonyms
- 2-(2-(4-((2-Cyanoethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium chloride | Basic Red 14 | 3-[N-methyl-4-...
- Methysergide maleateCAS: 129-49-7 EC Number: 204-950-9 PubChem CID: 5281073 Formula: C25H31N3O6 Molecular Weight: 469.53● In Stock — US warehouse, ships to EU* Item #: M275921View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
- SMILES
- CCC(CO)NC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C.C(=CC(=O)O)C(=O)O
- InChIKey
- LWYXFDXUMVEZKS-ZVFOLQIPSA-N
- InChI
- show more
- Synonyms
- MLS001076153 | NCGC00261548-01 | NSC-759143 | Pharmakon1600-01505492 | 2U7H1466GH | Desernil bismaleate | M-137 | Met...
- NVP-BSK805 2HClCAS: 1092499-93-8(free base) Formula: C27H28F2N6O·2HCl Molecular Weight: 563.47◐ .Made to order · 8–12 wks Item #: N129609View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- BSK805 dihydrochloride; NVP-BSK 805 dihydrochloride;8-[3,5-Difluoro-4-(4-morpholinylmethyl)phenyl]-2-[1-(4-piperidiny...
- D(+)-Glucosamine hydrochlorideSolid ≥99%● In Stock — US warehouse, ships to EU* Item #: G100089View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 2-Amino-2-deoxy-D-glucose hydrochloride Chitosamine hydrochloride
- GlycerolSuitable for electrophoresis ? Electrophoresis grade — low ionic/UV impurities for clean gel runs. Use in agarose/PAGE electrophoresis where impurities distort bands. ≥99%● In Stock — US warehouse, ships to EU* Item #: G116213View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- propane-1,2,3-triol
- SMILES
- OCC(O)CO
- InChIKey
- PEDCQBHIVMGVHV-UHFFFAOYSA-N
- InChI
- 1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
- Synonyms
- CHEBI:17754 | Glycerol 85% | Ophthalgan | PZN 7474853 | UNII-PDC6A3C0OX | 2-PROPANOL, 1,3-DIHYDROXY- | DYNASTIN 7 | G...
- NSCICAS: 872254-32-5 Formula: C26H25N3O6S Molecular Weight: 507.56◐ .Made to order · 8–12 wks Item #: N333280View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[(4-methoxyphenyl)methyl]-5-[(2S)-2-(pyridin-3-yloxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
- SMILES
- COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4COC5=CN=CC=C5)C(=O)C2=O
- InChIKey
- XDHJBIYJRNFDKS-IBGZPJMESA-N
- InChI
- show more
- Synonyms
- HY-136975 | NSCI, >=97% (HPLC), solid | 1-[(4-methoxyphenyl)methyl]-5-[(2S)-2-(pyridin-3-yloxymethyl)pyrrolidin-1-yl]...
- 5-phenyl-1H-pyrrole-3-carbaldehydeCAS: 56448-22-7 Formula: C11H9NO Molecular Weight: 171.19◐ .Made to order · 8–12 wks Item #: H304009View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-phenyl-1H-pyrrole-3-carbaldehyde
- SMILES
- C1=CC=C(C=C1)C2=CC(=CN2)C=O
- InChIKey
- CXRIBBUJKKGAGS-UHFFFAOYSA-N
- InChI
- 1S/C11H9NO/c13-8-9-6-11(12-7-9)10-4-2-1-3-5-10/h1-8,12H
- AtglistatinCAS: 1469924-27-3 Formula: C17H21N3O Molecular Weight: 283.37● In Stock — US warehouse, ships to EU* Item #: A302918View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea
- SMILES
- CN(C)C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)N(C)C
- InChIKey
- AWOPBSAJHCUSAS-UHFFFAOYSA-N
- InChI
- 1S/C17H21N3O/c1-19(2)16-10-8-13(9-11-16)14-6-5-7-15(12-14)18-17(21)20(3)4/h5-12H,1-4H3,(H,18,21)
- Synonyms
- AKOS026750242 | HY-15859 | FT-0700208 | SW220102-1 | AC-35213 | EN300-172737 | 3-(4'-(dimethylamino)biphenyl-3-yl)-1,...
- 7-EthylcamptothecinSolid ≥96%(HPLC)● In Stock — US warehouse, ships to EU* Item #: E134852View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (19S)-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
- SMILES
- CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=CC=CC=C51
- InChIKey
- MYQKIWCVEPUPIL-QFIPXVFZSA-N
- InChI
- 1S/C22H20N2O4/c1-3-12-13-7-5-6-8-17(13)23-19-14(12)10-24-18(19)9-16-15(20(24)25)11-28-21(26)22(16,27)4-2/h5-9,27H,3-4,10-11H2,1-2H3/t22-/m0/s1
- Synonyms
- 3,3,5-Trimethylcyclohexyl hydroxy(phenyl)acetate | 7-ETHYLCAMPTOTHECIN [USP IMPURITY] | Proeptatriene [Italian] | 4,1...
- CPTH2CAS: 357649-93-5 Formula: C14H14ClN3S Molecular Weight: 291.8◐ .Made to order · 8–12 wks Item #: C134944View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-chlorophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine
- SMILES
- C1CCC(=NNC2=NC(=CS2)C3=CC=C(C=C3)Cl)C1
- InChIKey
- YYTHPXHGWSAKIZ-UHFFFAOYSA-N
- InChI
- 1S/C14H14ClN3S/c15-11-7-5-10(6-8-11)13-9-19-14(16-13)18-17-12-3-1-2-4-12/h5-9H,1-4H2,(H,16,18)
- Synonyms
- N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-N'-cyclopentylidene-hydrazine | 4-(4-chlorophenyl)-2-(2-cyclopentylidenehydrazin...
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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.