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
- Meptazinol HClSolid ≥99%● In Stock — US warehouse, ships to EU* Item #: M129400View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(3-ethyl-1-methylazepan-3-yl)phenol;hydrochloride
- SMILES
- CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O.Cl
- InChIKey
- MPJUSISYVXABBH-UHFFFAOYSA-N
- InChI
- 1S/C15H23NO.ClH/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13;/h6-8,11,17H,3-5,9-10,12H2,1-2H3;1H
- Synonyms
- NCGC00179295-03 | s3204 | SMR001233402 | T62FQ4ZCPA | WY 22811 HCl | MEPTAZINOL HYDROCHLORIDE (+/-)- | Meptazinolhydr...
- OXF BD 02CAS: 1429129-68-9 Formula: C18H17NO3 Molecular Weight: 295.33● In Stock — US warehouse, ships to EU* Item #: O287867View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy(phenyl)methyl]phenol
- SMILES
- CC1=C(C(=NO1)C)C2=CC(=CC(=C2)O)C(C3=CC=CC=C3)O
- InChIKey
- FEQUIPXIENTMJN-UHFFFAOYSA-N
- InChI
- 1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3
- Synonyms
- 3-(3,5-Dimethyl-4-isoxazolyl)-5-hydroxy-α-phenylbenzenemethanol
- HBDDECAS: 154675-18-0 Formula: C16H18O8 Molecular Weight: 338.3◐ .Made to order · 8–12 wks Item #: H275628View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(methoxymethyl)-4-[2,3,4-trihydroxy-6-(methoxymethyl)phenyl]benzene-1,2,3-triol
- SMILES
- COCC1=CC(=C(C(=C1C2=C(C(=C(C=C2COC)O)O)O)O)O)O
- InChIKey
- NEBCAMAQXZIVRE-UHFFFAOYSA-N
- InChI
- 1S/C16H18O8/c1-23-5-7-3-9(17)13(19)15(21)11(7)12-8(6-24-2)4-10(18)14(20)16(12)22/h3-4,17-22H,5-6H2,1-2H3
- Synonyms
- 6,6'-Bis(methoxymethyl)[1,1'-biphenyl]-2,2',3,3',4,4'-hexol | KBio3_000850 | SCHEMBL1272421 | Bio2_000868 | HMS1792G1...
- BehenamideCAS: 3061-75-4 Formula: C22H45NO Molecular Weight: 339.6● In Stock — US warehouse, ships to EU* Item #: B303391View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- docosanamide
- SMILES
- CCCCCCCCCCCCCCCCCCCCCC(=O)N
- InChIKey
- ORAWFNKFUWGRJG-UHFFFAOYSA-N
- InChI
- 1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24)
- Synonyms
- J-018039 | CHEBI:165591 | FT-0634629 | BEHENAMIDE [INCI] | DTXSID7062821 | Behenamide | EINECS 221-304-1 | Docosanami...
- HDSFCAS: 86855-26-7 Formula: C16H33FO2S Molecular Weight: 308.5● In Stock — US warehouse, ships to EU* Item #: H331899View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- hexadecane-1-sulfonyl fluoride
- SMILES
- CCCCCCCCCCCCCCCCS(=O)(=O)F
- InChIKey
- QIVFMUVBIHIZAM-UHFFFAOYSA-N
- InChI
- 1S/C16H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3
- Synonyms
- palmitylsulphonyl fluoride | 1-Hexadecanesulfonylfluoride | 1-Hexadecanesulfonyl fluoride | 1-HEXADECYLSULFONYL FLUOR...
- 5-(Piperazin-1-ylsulfonyl)isoquinoline● In Stock — US warehouse, ships to EU* Item #: H275141View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-piperazin-1-ylsulfonylisoquinoline
- SMILES
- C1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3
- InChIKey
- UPTYCYWTFGTCCG-UHFFFAOYSA-N
- InChI
- 1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2
- Synonyms
- 1-(5-Isoquinolinesulfonyl)piperazine | Piperazine, 1-(5-isoquinolinylsulfonyl)- | BDBM15203 | MFCD00209852 | NCGC0002...
- Bax channel blocker● In Stock — US warehouse, ships to EU* Item #: B347262View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
- SMILES
- C1CN(CCN1)CC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O.Cl.Cl
- InChIKey
- HWFKCAFKXZFOQT-UHFFFAOYSA-N
- InChI
- 1S/C19H21Br2N3O.2ClH/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23;;/h1-4,9-10,15,22,25H,5-8,11-12H2;2*1H
- Synonyms
- J-019229 | NCGC00092317-01 | 3,6-DIBROMO-ALPHA-(1-PIPERAZINYLMETHYL)-9H-CARBAZOLE-9-ETHANOL DIHYDROCHLORIDE | 1-(3,6-...
- H-Trp-Glu-OHCAS: 36099-95-3 Formula: C16H19N3O5 Molecular Weight: 333.34● In Stock — US warehouse, ships to EU* Item #: H303545View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid
- SMILES
- C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CCC(=O)O)C(=O)O)N
- InChIKey
- PWIQCLSQVQBOQV-AAEUAGOBSA-N
- InChI
- show more
- Synonyms
- tryptophanyl-glutamic acid | HY-128487 | Q27144978 | WE | L-tryptophyl-L-glutamic acid | l-tryptophanyl-l-glutamic ac...
- HA-1004CAS: 91742-10-8 Formula: C12H15N5O2S Molecular Weight: 293.35Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%◐ .Made to order · 8–12 wks Item #: H331174View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]guanidine
- SMILES
- C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN=C(N)N
- InChIKey
- MZNDNBFMSVMUCX-UHFFFAOYSA-N
- InChI
- 1S/C12H15N5O2S/c13-12(14)16-6-7-17-20(18,19)11-3-1-2-9-8-15-5-4-10(9)11/h1-5,8,17H,6-7H2,(H4,13,14,16)
- Synonyms
- HA 1004 | HA1004 | ha-1004 | N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide | HT 1004 | KBio2_005589 ...
- Oltipraz● In Stock — US warehouse, ships to EU* Item #: O136690View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-methyl-5-pyrazin-2-yldithiole-3-thione
- SMILES
- CC1=C(SSC1=S)C2=NC=CN=C2
- InChIKey
- CKNAQFVBEHDJQV-UHFFFAOYSA-N
- InChI
- 1S/C8H6N2S3/c1-5-7(12-13-8(5)11)6-4-9-2-3-10-6/h2-4H,1H3
- Synonyms
- BCP16064 | RP 35972;NSC 347901 | BRN 0978110 | DTXSID7021079 | NSC347901 | NSC-347901 | Q7088765 | 4-methyl-5-(pyrazi...
- HFPO pentamer, methyl esterCAS: 133609-46-8 Formula: C16H3F29O6 Molecular Weight: 842.15● In Stock — US warehouse, ships to EU* Item #: H352851View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- COC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F
- InChIKey
- XCSZRHBSQLYKOK-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- C16H3F29O6 | Hfpo pentamer,methyl ester | FT-0628779 | Perfluoro-2,5,8,11-tetramethyl-3,6,9,12-tetraoxapentadecanoic ...
- Methoxamine hydrochloride, Adrenergic receptor alpha-1 agonist● In Stock — US warehouse, ships to EU* Item #: M300386View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride
- SMILES
- CC(C(C1=C(C=CC(=C1)OC)OC)O)N.Cl
- InChIKey
- YGRFXPCHZBRUKP-UHFFFAOYSA-N
- InChI
- 1S/C11H17NO3.ClH/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3;/h4-7,11,13H,12H2,1-3H3;1H
- Synonyms
- MLS001074122 | Tox21_500769 | Pharmakon1600-01500399 | D01020 | FT-0603257 | SCHEMBL146117 | EN300-365686 | NCGC00094...
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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.