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
24,635Navigate 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
- JCP174CAS: 126062-19-9 Formula: C12H12ClNO3 Molecular Weight: 253.68● In Stock — US warehouse, ships to EU* Item #: J412955View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-amino-4-chloro-3-propoxyisochromen-1-one
- SMILES
- CCCOC1=C(C2=C(C=C(C=C2)N)C(=O)O1)Cl
- InChIKey
- MDOWUFTZOHGGHU-UHFFFAOYSA-N
- InChI
- 1S/C12H12ClNO3/c1-2-5-16-12-10(13)8-4-3-7(14)6-9(8)11(15)17-12/h3-4,6H,2,5,14H2,1H3
- JMJD7-IN-1CAS: 311316-96-8 Formula: C16H8Cl2N2O4 Molecular Weight: 363.1● In Stock — US warehouse, ships to EU* Item #: J413694View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (5-nitroquinolin-8-yl) 2,4-dichlorobenzoate
- SMILES
- C1=CC2=C(C=CC(=C2N=C1)OC(=O)C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]
- InChIKey
- YKPUGYXWOBGQLL-UHFFFAOYSA-N
- InChI
- 1S/C16H8Cl2N2O4/c17-9-3-4-10(12(18)8-9)16(21)24-14-6-5-13(20(22)23)11-2-1-7-19-15(11)14/h1-8H
- JND3229CAS: 2260886-64-2 Formula: C33H41ClN8O2 Molecular Weight: 617.18Solid 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 #: J413666View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[3-(2-chlorophenyl)-7-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]cyclohexyl]propanamide
- SMILES
- CCC(=O)NC1CCC(CC1)N2C3=NC(=NC=C3CN(C2=O)C4=CC=CC=C4Cl)NC5=CC(=C(C=C5)N6CCN(CC6)C)C
- InChIKey
- WVLWGBZNXIVAKC-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- N-(trans-4-(3-(2-Chlorophenyl)-7-((3-methyl-4-(4-methylpiperazin-1-yl)phenyl)amino)-2-oxo-3,4-dihydropyrimido[4,5-d]p...
- JNJ 0966CAS: 315705-75-0 Formula: C16H16N4O2S2 Molecular Weight: 360.4510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: J423286View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
- SMILES
- CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)NC3=CC=CC=C3OC
- InChIKey
- ZADCDCMLLGDCRM-UHFFFAOYSA-N
- InChI
- 1S/C16H16N4O2S2/c1-9-14(24-16(17-9)18-10(2)21)12-8-23-15(20-12)19-11-6-4-5-7-13(11)22-3/h4-8H,1-3H3,(H,19,20)(H,17,18,21)
- Synonyms
- N-[2-[(2-Methoxyphenyl)amino]-4'-methyl[4,5'-bithiazol]-2'-yl]acetamide
- JX 0610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: J425695View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate
- SMILES
- C1COCCN1C(=S)SSC(=S)N2CCOCC2
- InChIKey
- KKVYOWPPMNSLCP-UHFFFAOYSA-N
- InChI
- 1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2
- Synonyms
- 4-27-00-00313 (Beilstein Handbook Reference) | E75048 | MLS003171519 | BDBM50414944 | Bis(morpholinothiocarbonyl)disu...
- Jatrorrhizine10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: J423627View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- FT-0686648 | jateorrhizine | Berbinium, 7,8,13,13a-tetradehydro-3-hydroxy-2,9,10-trimethoxy- (8CI) | Ethynyldimethylc...
- K 03861CAS: 853299-07-7 Formula: C24H26F3N7O2 Molecular Weight: 501.5110mM in DMSO● In Stock — US warehouse, ships to EU* Item #: K426316View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
- SMILES
- CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC(=NC=C4)N)C(F)(F)F
- InChIKey
- PWDLXPJQFNVTNL-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- K03861;1-[4-(2-Aminopyrimidin-4-yloxy)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-trifluoromethylphenyl]urea; AUZ...
- JSH-150CAS: 2247481-21-4 Formula: C24H33ClN6O2S Molecular Weight: 505.08● In Stock — US warehouse, ships to EU* Item #: J414178View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[[[4-[5-chloro-2-[[4-(2-methoxyethylamino)cyclohexyl]amino]pyridin-4-yl]-1,3-thiazol-2-yl]amino]methyl]oxane-4-carbonitrile
- SMILES
- COCCNC1CCC(CC1)NC2=NC=C(C(=C2)C3=CSC(=N3)NCC4(CCOCC4)C#N)Cl
- InChIKey
- XSDZPPRQLIZLDG-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 2H-Pyran-4-carbonitrile,4-[[[4-[5-chloro-2-[[trans-4-[(2-methoxyethyl)amino]cyclohexyl]amino]-4-pyri...
- JaceosidinCAS: 18085-97-7 Formula: C17H14O7 Molecular Weight: 330.3● In Stock — US warehouse, ships to EU* Item #: J412635View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one
- SMILES
- COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)O
- InChIKey
- GLAAQZFBFGEBPS-UHFFFAOYSA-N
- InChI
- 1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3
- Synonyms
- DTXSID70207524 | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-Benzopyran-4-one | Jaceosidin | 5,7-Dihyd...
- K 0228810mM in DMSO● In Stock — US warehouse, ships to EU* Item #: K421595View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol
- SMILES
- COC1=CC(=CC(=C1OC)OC)C2=C(N=CC(=C2)C3=CC(=CC=C3)O)N
- InChIKey
- CJLMANFTWLNAKC-UHFFFAOYSA-N
- InChI
- 1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22)
- Synonyms
- K 02288a | K02288a | BCP09946 | BDBM102619 | M0708 | AKOS024458450 | FD5034 | A14311 | K 02288 | 3-[6-Amino-5-(3,4,5-...
- K-7174CAS: 191089-59-5 Formula: C33H48N2O6 Molecular Weight: 568.74● In Stock — US warehouse, ships to EU* Item #: K413597View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,4-bis[(E)-5-(3,4,5-trimethoxyphenyl)pent-4-enyl]-1,4-diazepane
- SMILES
- COC1=CC(=CC(=C1OC)OC)C=CCCCN2CCCN(CC2)CCCC=CC3=CC(=C(C(=C3)OC)OC)OC
- InChIKey
- JXXCDAKRSXICGM-AOEKMSOUSA-N
- InChI
- show more
- Synonyms
- 1H-1,4-Diazepine, hexahydro-1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)-4-penten-1-yl]- | 36376CA57N | 1H-1,4-Diazepine, ...
- K-Ras(G12C) inhibitor 6CAS: 2060530-16-5 Formula: C17H22Cl2N2O3S Molecular Weight: 405.34● In Stock — US warehouse, ships to EU* Item #: K413739View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-4-sulfanylbutanamide
- SMILES
- C1CN(CCC1NC(=O)CCCS)C(=O)COC2=C(C=C(C=C2)Cl)Cl
- InChIKey
- ZPXCEHMKUTXHRZ-UHFFFAOYSA-N
- InChI
- 1S/C17H22Cl2N2O3S/c18-12-3-4-15(14(19)10-12)24-11-17(23)21-7-5-13(6-8-21)20-16(22)2-1-9-25/h3-4,10,13,25H,1-2,5-9,11H2,(H,20,22)
- Synonyms
- JPV55C3PN4 | MDK30165; MDK-30165; MDK 30165 | N-[1-[2-(2,4-Dichlorophenoxy)acetyl]-4-piperidinyl]-4-mercaptobutanamid...
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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.