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
- CGP 20712 dihydrochloride◐ .Made to order · 8–12 wks Item #: C288141View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide;dihydrochloride
- SMILES
- CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F.Cl.Cl
- InChIKey
- PURFQCFKYNMIQF-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 1-[2-((3-Carbamoyl-4-hydroxy)phenoxy)ethylamino]-3-[4-(1-methyl-4-trifluoromethyl-2-imidazolyl)phenoxy]-2-propanol di...
- CEP-18770 (Delanzomib)CAS: 847499-27-8 Formula: C21H28BN3O5 Molecular Weight: 413.28Solid ≥97%● In Stock — US warehouse, ships to EU* Item #: D127401View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(1R)-1-[[(2S,3R)-3-hydroxy-2-[(6-phenylpyridine-2-carbonyl)amino]butanoyl]amino]-3-methylbutyl]boronic acid
- SMILES
- B(C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C1=CC=CC(=N1)C2=CC=CC=C2)(O)O
- InChIKey
- SJFBTAPEPRWNKH-CCKFTAQKSA-N
- InChI
- show more
- Synonyms
- Delanzomib, free base | NCGC00346469-01 | NPH007098 | NPH-007098 | DTXSID901025656 | CEP18770 | CEP-18770 | Cilostami...
- CEP-18770 (Delanzomib)CAS: 847499-27-8 Formula: C21H28BN3O5 Molecular Weight: 413.2810mM in DMSO● In Stock — US warehouse, ships to EU* Item #: C426212View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(1R)-1-[[(2S,3R)-3-hydroxy-2-[(6-phenylpyridine-2-carbonyl)amino]butanoyl]amino]-3-methylbutyl]boronic acid
- SMILES
- B(C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C1=CC=CC(=N1)C2=CC=CC=C2)(O)O
- InChIKey
- SJFBTAPEPRWNKH-CCKFTAQKSA-N
- InChI
- show more
- Synonyms
- Delanzomib, free base | NCGC00346469-01 | NPH007098 | NPH-007098 | DTXSID901025656 | CEP18770 | CEP-18770 | Cilostami...
- CGP 54626 hydrochloride◐ .Made to order · 8–12 wks Item #: C286639View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- cyclohexylmethyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid;hydrochloride
- SMILES
- CC(C1=CC(=C(C=C1)Cl)Cl)NCC(CP(=O)(CC2CCCCC2)O)O.Cl
- InChIKey
- ZQCFHOVIXCJPLE-LINSIKMZSA-N
- InChI
- show more
- Synonyms
- SCHEMBL8751311 | AKOS024456379 | SR-01000597853 | HY-101378 | CGP-54626 HCl |
[S-(R*,R*)]-[3-[[1-(3,4-Dichlorophen...
- CGP 55845 hydrochloride◐ .Made to order · 8–12 wks Item #: C275089View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- benzyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid;hydrochloride
- SMILES
- CC(C1=CC(=C(C=C1)Cl)Cl)NCC(CP(=O)(CC2=CC=CC=C2)O)O.Cl
- InChIKey
- PXQAIXBYWZBYKJ-LINSIKMZSA-N
- InChI
- show more
- Synonyms
- benzyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid;hydrochloride | CGP 55845A |...
- CGP 57380, Inhibitor of MAPK interacting serine/threonine kinase 1;Inhibitor of MAPK interacting serine/threonine kinase 2Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: C424479View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-N-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
- SMILES
- C1=CC(=CC=C1NC2=C3C(=NC=NC3=NN2)N)F
- InChIKey
- UQPMANVRZYYQMD-UHFFFAOYSA-N
- InChI
- 1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)
- Synonyms
- CGP 57380|522629-08-9|CGP-57380|MNK1 Inhibitor|N3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine|3-N-(4-fl...
- CGP 71683 hydrochlorideCAS: 192322-50-2 Formula: C26H29N5O2S•HCl Molecular Weight: 512.07● In Stock — US warehouse, ships to EU* Item #: C286617View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;hydrochloride
- SMILES
- C1CC(CCC1CNC2=NC3=CC=CC=C3C(=N2)N)CNS(=O)(=O)C4=CC=CC5=CC=CC=C54.Cl
- InChIKey
- DIQDKUNCSVFGHH-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- AKOS024456984 | CGP 71683A; CGP71683A; CGP-71683 HCl | Q27258822 | MFCD00048633 | cgp71683a hcl | CGP-71683A HCl | N-...
- CGP 71683 hydrochlorideCAS: 192322-50-2 Formula: C26H29N5O2S•HCl Molecular Weight: 512.0710mM in DMSO● In Stock — US warehouse, ships to EU* Item #: C422353View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;hydrochloride
- SMILES
- C1CC(CCC1CNC2=NC3=CC=CC=C3C(=N2)N)CNS(=O)(=O)C4=CC=CC5=CC=CC=C54.Cl
- InChIKey
- DIQDKUNCSVFGHH-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- AKOS024456984 | CGP 71683A; CGP71683A; CGP-71683 HCl | Q27258822 | MFCD00048633 | cgp71683a hcl | CGP-71683A HCl | N-...
- CGS 20625CAS: 111205-55-1 Formula: C18H19N3O2 Molecular Weight: 309.36◐ .Made to order · 8–12 wks Item #: C288455View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-methoxyphenyl)-3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-1,6,8-trien-5-one
- SMILES
- COC1=CC=C(C=C1)N2C(=O)C3=CN=C4CCCCCC4=C3N2
- InChIKey
- UBLXQFIFWUEVGJ-UHFFFAOYSA-N
- InChI
- 1S/C18H19N3O2/c1-23-13-9-7-12(8-10-13)21-18(22)15-11-19-16-6-4-2-3-5-14(16)17(15)20-21/h7-11,20H,2-6H2,1H3
- Synonyms
- 5,6,7,8,9,10-Hexahydro-2-(4-methoxyphenyl)cyclohepta[b]pyrazolo[3,4-d]pyridin-3(2H)-one. | CHEBI:93192 | Q5010987 | S...
- CGS 21680 HClCAS: 124431-80-7 Formula: C₂₃H₂₉N₇O₆.HCl Molecular Weight: 535.9910mM in DMSO● In Stock — US warehouse, ships to EU* Item #: C408750View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phe...
- CGI-1746, Inhibitor of Bruton tyrosine kinaseCAS: 910232-84-7 Formula: C34H37N5O4 Molecular Weight: 579.71Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: C426873View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
- SMILES
- CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CN(C(=O)C(=N3)NC4=CC=C(C=C4)C(=O)N5CCOCC5)C
- InChIKey
- JIFCFQDXHMUPGP-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- SW222244-1 | 4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benza...
- CGK 733CAS: 905973-89-9 Formula: C23H18Cl3FN4O3S Molecular Weight: 555.84● In Stock — US warehouse, ships to EU* Item #: C129735View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,2-diphenyl-N-[2,2,2-trichloro-1-[(4-fluoro-3-nitrophenyl)carbamothioylamino]ethyl]acetamide
- SMILES
- C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC3=CC(=C(C=C3)F)[N+](=O)[O-]
- InChIKey
- HLCDNLNLQNYZTK-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- HY-15520 | BRD-A50737080-001-01-4 | BDBM50324675 | NCGC00165778-02 | AS-16938 | Benzeneacetamide, alpha-phenyl-N-(2,2...
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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.