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
24,635Navigate 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 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 to assemble or screen PROTAC designs, with clear identifiers for efficient selection.
By Signaling Pathways
102,620Explore 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)
19,695Find 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
- Cevimeline hydrochlorideCAS: 153504-70-2 PubChem CID: 71307519 Formula: C10H17NOS·HCl·1/2H2O Molecular Weight: 199.31 (anhydrous free base ba◐ .Made to order · 8–12 wks Item #: C275672View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];hydrate;dihydrochloride
- SMILES
- CC1OC2(CN3CCC2CC3)CS1.CC1OC2(CN3CCC2CC3)CS1.O.Cl.Cl
- InChIKey
- ZSTLCHCDLIUXJE-MMPAUJBDSA-N
- InChI
- 1S/2C10H17NOS.2ClH.H2O/c2*1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11;;;/h2*8-9H,2-7H2,1H3;2*1H;1H2/t2*8?,10-;;;/m11.../s1
- Synonyms
- (+/-)-cis-2-Methylspiro[1,3-oxathiolane-5,3'-quinuclidine] | 2-METHYL-1'-AZASPIRO[[1,3]OXATHIOLANE-5,3'-BICYCLO[2.2.2...
- Cevimeline hydrochlorideCAS: 107220-28-0 Formula: C10H17NOS•HCl Molecular Weight: 235.77◐ .Made to order · 8–12 wks Item #: C287826View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];hydrochloride
- SMILES
- CC1OC2(CN3CCC2CC3)CS1.Cl
- InChIKey
- SURWTGAXEIEOGY-GHXDPTCOSA-N
- InChI
- 1S/C10H17NOS.ClH/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11;/h8-9H,2-7H2,1H3;1H/t8-,10-;/m1./s1
- Synonyms
- Cevimeline hydrochloride | AKOS030526237 | (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];hydr...
- Cevimeline hydrochloride hemihydrateCAS: 153504-70-2 PubChem CID: 71307519 Formula: C10H17NOS·HCl·1/2H2O Molecular Weight: 199.31 (anhydrous free base ba● In Stock — US Item #: C140843View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];hydrate;dihydrochloride
- SMILES
- CC1OC2(CN3CCC2CC3)CS1.CC1OC2(CN3CCC2CC3)CS1.O.Cl.Cl
- InChIKey
- ZSTLCHCDLIUXJE-MMPAUJBDSA-N
- InChI
- 1S/2C10H17NOS.2ClH.H2O/c2*1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11;;;/h2*8-9H,2-7H2,1H3;2*1H;1H2/t2*8?,10-;;;/m11.../s1
- Synonyms
- PD087209 | EX-A4189 | Cevimeline hydrochloride hemihydrate | Cevimeline (hydrochloride hemihydrate) | MFCD01759988 | ...
- Cevimeline hydrochloride hemihydrateCAS: 153504-70-2 EC Number: 642-988-1 PubChem CID: 71307519 Formula: C10H17NOS·HCl·1/2H2O Molecular Weight: 199.31 (anhydrous free base ba10mM in DMSO● In Stock — US Item #: C421821View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Cevimeline hydrochloride hemihydrate|153504-70-2|Cevimeline (hydrochloride hemihydrate)|Cevimelinehydrochloridehemihy...
- Ch 55CAS: 110368-33-7 Formula: C24H28O3 Molecular Weight: 364.47● In Stock — US Item #: C286965View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid
- SMILES
- CC(C)(C)C1=CC(=CC(=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O)C(C)(C)C
- InChIKey
- FOUVTBKPJRMLPE-FMIVXFBMSA-N
- InChI
- 1S/C24H28O3/c1-23(2,3)19-13-18(14-20(15-19)24(4,5)6)21(25)12-9-16-7-10-17(11-8-16)22(26)27/h7-15H,1-6H3,(H,26,27)/b12-9+
- Synonyms
- SCHEMBL2307737 | Benzoic acid, 4-(3-(3,5-bis(1,1-dimethylethyl)phenyl)-3-oxo-1-propenyl)- | 4-[(E)-3-(3,5-ditert-buty...
- ChX710● In Stock — US Item #: C413394View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[1-(dimethylamino)propan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
- SMILES
- CC(CN(C)C)NC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC=NC=C3
- InChIKey
- HCAALGAOSBFHFP-UHFFFAOYSA-N
- InChI
- 1S/C18H21N5O/c1-12(11-23(2)3)20-18(24)14-5-4-6-15-16(14)22-17(21-15)13-7-9-19-10-8-13/h4-10,12H,11H2,1-3H3,(H,20,24)(H,21,22)
- Chaetocin from Chaetomium minutum, Inhibitor of SUV39H1 histone lysine methyltransferaseCAS: 28097-03-2 Formula: C30H28N6O6S4 Molecular Weight: 696.84Moligand™ ? 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 #: C422986View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CN1C(=O)C23CC4(C(N2C(=O)C1(SS3)CO)NC5=CC=CC=C54)C67CC89C(=O)N(C(C(=O)N8C6NC1=CC=CC=C71)(SS9)CO)C
- InChIKey
- PZPPOCZWRGNKIR-PNVYSBBASA-N
- InChI
- show more
- Synonyms
- CCG-270384 | Chaetocin | HY-N2019 | (10B,10'B(11H,11'H)-BI-3,11A-EPIDITHIO-11AH-PYRAZINO(1',2':1,5)PYRROLO(2,3-B)INDO...
- Chaetoglobosin CCAS: 50645-76-6 Formula: C32H36N2O5 Molecular Weight: 528.7◐ .Made to order · 8–12 wks Item #: C349419View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1CC=CC2C3C(O3)(C(C4C2(C(=O)CCC(=O)C(=O)C(=C1)C)C(=O)NC4CC5=CNC6=CC=CC=C65)C)C
- InChIKey
- RIZAHVBYKWUPHQ-JZDGHNCDSA-N
- InChI
- show more
- Synonyms
- DTXSID50891804 | (7Z,9S,11E,13R,14S,16R,17S,18R,19S)-19-(1H-Indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetr...
- Chelidonin10mM in DMSO● In Stock — US Item #: C424146View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
- SMILES
- CN1CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6
- InChIKey
- GHKISGDRQRSCII-ZOCIIQOWSA-N
- InChI
- show more
- Synonyms
- (1)-Chelidonine | Helidonine | (+/-)-chelidonine | [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,...
- Chenodeoxycholic Acid(CDCA), Bile acid receptor FXR agonistMoligand™ ? 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 Item #: C408499View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Chenodiol | (3α,5β,7α)-3,7-dihydroxy-cholan-24-oic acid
- Chenodeoxycholic Acid 24-Acyl-β-D-glucuronideCAS: 208038-27-1 Formula: C30H48O10 Molecular Weight: 568.70● In Stock — US Item #: C346883View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(CCC(=O)OC1C(C(C(C(O1)C(=O)O)O)O)O)C2CCC3C2(CCC4C3C(CC5C4(CCC(C5)O)C)O)C
- InChIKey
- ZTJBLIAPAIPNJE-BWGRGVIUSA-N
- InChI
- show more
- Synonyms
- (2S,3S,4S,5R,6S)-6-[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15...
- CetabenCAS: 55986-43-1 Formula: C23H39NO2 Molecular Weight: 361.6● In Stock — US Item #: C334805View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(hexadecylamino)benzoic acid
- SMILES
- CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)O
- InChIKey
- QXWKHSSBFQDQPR-UHFFFAOYSA-N
- InChI
- 1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(17-19-22)23(25)26/h16-19,24H,2-15,20H2,1H3,(H,25,26)
- Synonyms
- Benzoic acid, 4-(hexadecylamino)- | Cetabenum | 4-(n-Hexadecylamino)benzoic acid | 4-(n-hexadecylamino)-benzoic acid ...
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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.