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
- CA77.1CAS: 2412270-22-3 Formula: C16H12ClN3O Molecular Weight: 297.7410mM in DMSO◐ .Made to order · 8–12 wks Item #: C580324View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-(6-chloroquinoxalin-2-yl)phenyl]acetamide
- SMILES
- CC(=O)NC1=CC=C(C=C1)C2=CN=C3C=C(C=CC3=N2)Cl
- InChIKey
- ZQXMPDVGBWOTBY-UHFFFAOYSA-N
- InChI
- 1S/C16H12ClN3O/c1-10(21)19-13-5-2-11(3-6-13)16-9-18-15-8-12(17)4-7-14(15)20-16/h2-9H,1H3,(H,19,21)
- Synonyms
- 2412270-22-3 | MS-24275 | EX-A7534 | N-(4-(6-Chloroquinoxalin-2-yl)phenyl)acetamide | CA77.1 | s6395 | DTXSID70133685...
- CX 546, Allosteric modulator of GluA1;Allosteric modulator of GluA2;Allosteric modulator of GluA3;Allosteric modulator of GluA4CAS: 215923-54-9 Formula: C14H17NO3 Molecular Weight: 247.29Moligand™ ? 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◐ .Made to order · 8–12 wks Item #: C580334View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
- SMILES
- C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3
- InChIKey
- LJUNPHMOGNFFOS-UHFFFAOYSA-N
- InChI
- 1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2
- Synonyms
- 215923-54-9|CX546|CX 546|CX-546|(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)(piperidin-1-yl)methanone|2,3-dihydro-1,4-benzod...
- CPI-455CAS: 1628208-23-0(free) Formula: C16H14N4O Molecular Weight: 278.32Liquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: C580333View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-oxo-5-phenyl-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
- SMILES
- CC(C)C1=C(N=C2C(=CNN2C1=O)C#N)C3=CC=CC=C3
- InChIKey
- VGXRQCOVGLGFIM-UHFFFAOYSA-N
- InChI
- 1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,18H,1-2H3
- CID75567310mM in DMSO◐ .Made to order · 8–12 wks Item #: C580332View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one
- SMILES
- C1CC2=C(C(=O)NC1)OC3=C2C=C(C=C3)O
- InChIKey
- AACFPJSJOWQNBN-UHFFFAOYSA-N
- InChI
- 1S/C12H11NO3/c14-7-3-4-10-9(6-7)8-2-1-5-13-12(15)11(8)16-10/h3-4,6,14H,1-2,5H2,(H,13,15)
- Synonyms
- 521937-07-5|CID755673|CID 755673|cid-755673|7-Hydroxy-2,3,4,5-tetrahydro-1H-benzofuro[2,3-c]azepin-1-one|MLS000043346...
- CID-201175610mM in DMSO◐ .Made to order · 8–12 wks Item #: C580331View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
- SMILES
- C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl
- InChIKey
- XQJWTJLJEYIUDZ-UHFFFAOYSA-N
- InChI
- 1S/C22H21ClN2O3/c23-18-3-1-2-17(14-18)20-8-9-21(28-20)22(26)24-19-6-4-16(5-7-19)15-25-10-12-27-13-11-25/h1-9,14H,10-13,15H2,(H,24,26)
- Synonyms
- FT-0700346 | 5-(3-Chloro-phenyl)-furan-2-carboxylic acid (4-morpholin-4-ylmethyl-phenyl)-amide | MLS000557592 | BDBM3...
- Calcium D-gluconate monohydrateCAS: 66905-23-5 Formula: C12H22CaO14·H2O Molecular Weight: 448.392mM in Water◐ .Made to order · 8–12 wks Item #: C580335View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;hydrate
- SMILES
- C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.O.[Ca+2]
- InChIKey
- XLNFVCRGJZBQGX-XRDLMGPZSA-L
- InChI
- 1S/2C6H12O7.Ca.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t2*2-,3-,4+,5-;;/m11../s1
- Synonyms
- Calcium gluconate monohydrate|66905-23-5|Calcium D-gluconate monohydrate|D-Gluconic acid calcium salt monohydrate|UNI...
- Canrenoic Acid Potassium Salt, Mineralocorticoid receptor antagonist10mM in Water● In Stock — US warehouse, ships to EU* Item #: C580336View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- potassium;3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate
- SMILES
- CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC4(CCC(=O)[O-])O)C.[K+]
- InChIKey
- JTZQCHFUGHIPDF-RYVBEKKQSA-M
- InChI
- show more
- Synonyms
- Aldadiene potassium salt | HMS1568M18 | Aldadiene-kalium | CB 8109 | (2S,4R)-1-(tert-butoxycarbonyl)-4-hydroxy-pyrrol...
- Carbenoxolone Disodium10mM in DMSO◐ .Made to order · 8–12 wks Item #: C580337View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)[O-])C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C.[Na+].[Na+]
- InChIKey
- BQENDLAVTKRQMS-SBBGFIFASA-L
- InChI
- show more
- Synonyms
- CARBENOXOLONE SODIUM|Biogastrone|Bioral|Sanodin|Duogastrone|Carbenoxolone disodium|Neogel|Ulcus-tablinen|Sodium carbe...
- CeMMEC1CAS: 440662-09-9(free) Formula: C19H16N2O4 Molecular Weight: 336.3410mM in DMSO◐ .Made to order · 8–12 wks Item #: C580338View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxoisoquinoline-4-carboxamide
- SMILES
- CN1C=C(C2=CC=CC=C2C1=O)C(=O)NC3=CC4=C(C=C3)OCCO4
- InChIKey
- PEOQAZBGLOADFJ-UHFFFAOYSA-N
- InChI
- 1S/C19H16N2O4/c1-21-11-15(13-4-2-3-5-14(13)19(21)23)18(22)20-12-6-7-16-17(10-12)25-9-8-24-16/h2-7,10-11H,8-9H2,1H3,(H,20,22)
- Synonyms
- N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide | N-(2,3-dihydro-1,4-ben...
- Ceapin-A7CAS: 2323027-38-7 Formula: C20H12F6N4O3 Molecular Weight: 470.3210mM in DMSO◐ .Made to order · 8–12 wks Item #: C580339View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
- SMILES
- C1=COC(=C1)C2=CC(=NO2)C(=O)NC3=CN(N=C3)CC4=C(C=C(C=C4)C(F)(F)F)C(F)(F)F
- InChIKey
- UJTDYOXTXGBHEG-UHFFFAOYSA-N
- InChI
- 1S/C20H12F6N4O3/c21-19(22,23)12-4-3-11(14(6-12)20(24,25)26)9-30-10-13(8-27-30)28-18(31)15-7-17(33-29-15)16-2-1-5-32-16/h1-8,10H,9H2,(H,28,31)
- Synonyms
- N-(1-{[2,4-bis(Trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide, Ceapin-7；
- CefamandoleNafate, Bacterial penicillin-binding protein inhibitor10mM in DMSO◐ .Made to order · 8–12 wks Item #: C580340View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)OC=O)SC2)C(=O)[O-].[Na+]
- InChIKey
- ICZOIXFFVKYXOM-YCLOEFEOSA-M
- InChI
- show more
- Synonyms
- Guinea Green 2G | Pavecef | Cedol | Cefamandole nafate [USAN:USP:INN:BAN] | Cemandil Sodium | NSC 299588 | sodium (6R...
- Cefoselis Sulfate2mM in DMSO◐ .Made to order · 8–12 wks Item #: C580341View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CN4C=CC(=N)N4CCO)C(=O)O.OS(=O)(=O)O
- InChIKey
- LZOLCSVRFKCSEM-ZQCAECPKSA-N
- InChI
- show more
- Synonyms
- CEFOSELIS SULFATE [MI] | SCHEMBL1649696 | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3...
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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.