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).
Targets & Pathways
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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
24,639Navigate 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
2,815PROTAC 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
102,615Explore 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
- Icopezil◐ Made to order · 8–12 wks Item #: I668114View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydropyrrolo[3,2-f][1,2]benzoxazol-6-one
- SMILES
- C1CN(CCC1CCC2=NOC3=C2C=C4CC(=O)NC4=C3)CC5=CC=CC=C5
- InChIKey
- MTCMTKNMZCPKLX-UHFFFAOYSA-N
- InChI
- 1S/C23H25N3O2/c27-23-13-18-12-19-20(25-28-22(19)14-21(18)24-23)7-6-16-8-10-26(11-9-16)15-17-4-2-1-3-5-17/h1-5,12,14,16H,6-11,13,15H2,(H,24,27)
- Synonyms
- Icopezil|Icopezil [INN]|CP 118954|CP-118954|CP 118,954|3-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydropyrrolo[3,2-f][...
- Homohypotaurine◐ Made to order · 8–12 wks Item #: H668132View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-aminopropane-1-sulfinic acid
- SMILES
- C(CN)CS(=O)O
- InChIKey
- NPGXQDBNBFXJKB-UHFFFAOYSA-N
- InChI
- 1S/C3H9NO2S/c4-2-1-3-7(5)6/h1-4H2,(H,5,6)
- Synonyms
- Homohypotaurine|3-aminopropane-1-sulfinic acid|1-Propanesulfinic acid,3-amino-|3-aminopropane-1-sulfinicacid|3-aminop...
- Hexafluronium◐ Made to order · 8–12 wks Item #: H667796View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium
- SMILES
- C[N+](C)(CCCCCC[N+](C)(C)C1C2=CC=CC=C2C3=CC=CC=C13)C4C5=CC=CC=C5C6=CC=CC=C46
- InChIKey
- HDZAQYPYABGTCL-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Hexafluronium|hexafluorenium|Hexafluorenium ion|Hexafluorenium cation|1,6-Hexanediaminium, N,N'-di-9H-fluoren-9-yl-N,...
- Harmalan◐ Made to order · 8–12 wks Item #: H668099View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
- SMILES
- CC1=NCCC2=C1NC3=CC=CC=C23
- InChIKey
- CWOYLIJQLSNRRN-UHFFFAOYSA-N
- InChI
- 1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
- Synonyms
- Harmalan|1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole|1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole|1-Methyl-4,9-dihydro...
- Guanidine, N,N'-bis(4-methylphenyl)-CAS: 54116-98-2 Formula: C15H17N3 Molecular Weight: 239.32◐ Made to order · 8–12 wks Item #: G667899View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,2-bis(4-methylphenyl)guanidine
- SMILES
- CC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)C)N
- InChIKey
- FXQVBOJLSKRNLL-UHFFFAOYSA-N
- InChI
- 1S/C15H17N3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,16,17,18)
- Synonyms
- Guanidine, N,N'-bis(4-methylphenyl)-|N,N'-Bis(4-methylphenyl)guanidine|N,N'-Ditolylguanidine|Guanidine, N,N'-bis(meth...
- Glycine, N,N-dimethyl-, 3-(5,6,7,13-tetrahydro-9-((1-methylethoxy)methyl)-5-oxo-12H-indeno(2,1-a)pyrrolo(3,4-c)carbazol-12-yl)propyl ester, Vascular endothelial growth factor receptor inhibitor◐ Made to order · 8–12 wks Item #: G669045View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(C)OCC1=CC2=C(C=C1)N(C3=C2C4=C(C5=C3CC6=CC=CC=C65)C(=O)NC4)CCCOC(=O)CN(C)C
- InChIKey
- UHEBDUAFKQHUBV-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- CEP-7055|Glycine, N,N-dimethyl-, 3-(5,6,7,13-tetrahydro-9-((1-methylethoxy)methyl)-5-oxo-12H-indeno(2,1-a)pyrrolo(3,4...
- Isopropyl 2-oxo-2H-chromene-3-carboxylateCAS: 39497-14-8 Formula: C13H12O4 Molecular Weight: 232.23◐ Made to order · 8–12 wks Item #: I668307View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- propan-2-yl 2-oxochromene-3-carboxylate
- SMILES
- CC(C)OC(=O)C1=CC2=CC=CC=C2OC1=O
- InChIKey
- QPPAJPWUSODCEM-UHFFFAOYSA-N
- InChI
- 1S/C13H12O4/c1-8(2)16-12(14)10-7-9-5-3-4-6-11(9)17-13(10)15/h3-8H,1-2H3
- Synonyms
- Isopropyl coumarin-3-carboxylate|Isopropyl 2-oxo-2H-chromene-3-carboxylate|propan-2-yl 2-oxo-2H-chromene-3-carboxylat...
- Isoquine◐ Made to order · 8–12 wks Item #: I667780View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
- SMILES
- CCN(CC)CC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O
- InChIKey
- QGFYFOHMBDMGBZ-UHFFFAOYSA-N
- InChI
- 1S/C20H22ClN3O/c1-3-24(4-2)13-14-5-7-16(12-20(14)25)23-18-9-10-22-19-11-15(21)6-8-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)
- Synonyms
- ISOQUINE|5-[(7-Chloro-4-quinolyl)amino]-2-[(diethylamino)methyl]phenol|5-((7-Chloroquinolin-4-yl)amino)-2-((diethylam...
- Isoquinolin-1-yl(phenyl)methyl benzoateCAS: 5468-02-0 Formula: C23H17NO2 Molecular Weight: 339.4◐ Made to order · 8–12 wks Item #: I668169View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [isoquinolin-1-yl(phenyl)methyl] benzoate
- SMILES
- C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4
- InChIKey
- OBNCXZIUMMLFJY-UHFFFAOYSA-N
- InChI
- 1S/C23H17NO2/c25-23(19-12-5-2-6-13-19)26-22(18-10-3-1-4-11-18)21-20-14-8-7-9-17(20)15-16-24-21/h1-16,22H
- Synonyms
- isoquinolin-1-yl(phenyl)methyl benzoate|1-isoquinolyl(phenyl)methyl benzoate
- J-113863 cation, trans-CAS: 765882-14-2 Formula: C30H37Cl2N2O2⁺ Molecular Weight: 528.5◐ Made to order · 8–12 wks Item #: J668986View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide
- SMILES
- CC[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)CC5=CCCCCCC5
- InChIKey
- VQHKDCUXFKNNMT-ODCIPOBUSA-O
- InChI
- show more
- Synonyms
- J-113863 cation, cis-|J-113863 cation, trans-|Piperidinium, 1-(1-cycloocten-1-ylmethyl)-4-(((2,7-dichloro-9H-xanthen-...
- KRH-3955 free base◐ Made to order · 8–12 wks Item #: K669169View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[[4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl]-N-methyl-N',N'-dipropylbutane-1,4-diamine
- SMILES
- CCCN(CCC)CCCCN(C)CC1=CC=C(C=C1)CN(CC2=NC=CN2)CC3=NC=CN3C
- InChIKey
- SHGBVICHXYKTGY-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- KRH-3955 free base|(4-(Dipropylamino)butyl)(4-((((1H-imidazol-2-yl)methyl)((1-methylimidazol-2-yl)methyl)amino)methyl...
- KuromaninCAS: 47705-70-4 Formula: C21H21O11⁺ Molecular Weight: 449.4◐ Made to order · 8–12 wks Item #: K668283View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- SMILES
- C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
- InChIKey
- RKWHWFONKJEUEF-GQUPQBGVSA-O
- InChI
- show more
- Synonyms
- KUROMANIN|Chrysanthemin cation|Cyanidin 3-O-glucoside|cyanidin-3-O-glucoside|Cyanidin 3-glucoside|Cyanidin 3-O-beta-D...
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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.