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
- ChetominCAS: 1403-36-7 Formula: C31H32N6O6S4 Molecular Weight: 712.87◐ .Made to order · 8–12 wks Item #: C276197View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CN1C(=O)C2(N(C(=O)C1(SS2)CC3=CN(C4=CC=CC=C43)C56CC78C(=O)N(C(C(=O)N7C5NC9=CC=CC=C69)(SS8)CO)C)C)CO
- InChIKey
- ZRZWBWPDBOVIGQ-YWZWRZHGSA-N
- InChI
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- Synonyms
- 14-(Hydroxymethyl)-3-[3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methy...
- Chicoric AcidSolid Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.● In Stock — US Item #: C304293View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid
- SMILES
- C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O
- InChIKey
- YDDGKXBLOXEEMN-IABMMNSOSA-N
- InChI
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- Synonyms
- CAS-70831-56-0 | Chicoric acid | MFCD00189418 | Cichoric acid;Dicaffeoyltartaric acid | (2R,3R)-2,3-Bis-[(E)-3-(3,4-d...
- Chikusetsusaponin IVaCAS: 51415-02-2 Formula: C42H66O14 Molecular Weight: 794.97Solid ≥98%● In Stock — US Item #: C414338View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C
- InChIKey
- YOSRLTNUOCHBEA-SGVKAIFKSA-N
- InChI
- show more
- Synonyms
- MOMORDIN IIB | Calenduloside F | SILPHIOSIDE G | Oleanolic acid 3-glucuronide 28-glucoside
- Chikusetsusaponin IVaCAS: 51415-02-2 Formula: C42H66O14 Molecular Weight: 794.9710mM in DMSO● In Stock — US Item #: C424418View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C
- InChIKey
- YOSRLTNUOCHBEA-SGVKAIFKSA-N
- InChI
- show more
- Synonyms
- MOMORDIN IIB | HY-N0818 | T3FU6ZPR5V | OLEANOLIC ACID 3-O-(beta-D-GLUCURONOPYRANOSYL)-28-O-beta-D-GLUCOPYRANOSIDE | S...
- Chitohexaose Hexahydrochloride◐ .Made to order · 8–12 wks Item #: C303685View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- C(C1C(C(C(C(O1)OC2C(OC(C(C2O)N)OC3C(OC(C(C3O)N)OC4C(OC(C(C4O)N)OC5C(OC(C(C5O)N)OC6C(OC(C(C6O)N)O)CO)CO)CO)CO)CO)N)O)O)O.Cl.Cl.Cl.Cl.Cl.Cl
- InChIKey
- VWRFWLUKCKULCO-JARJSWFESA-N
- InChI
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- CetrimideCAS: 8044-71-1 Formula: C17H38BrN Molecular Weight: 336.39● In Stock — US Item #: C304689View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- trimethyl(tetradecyl)azanium;bromide
- SMILES
- CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
- InChIKey
- CXRFDZFCGOPDTD-UHFFFAOYSA-M
- InChI
- 1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
- Synonyms
- 1119-97-7|Cetrimide|Myristyltrimethylammonium bromide|Tetradecyltrimethylammonium bromide|Tetradonium bromide|8044-71...
- Cetyl StearateCAS: 1190-63-2 Formula: C34H68O2 Molecular Weight: 508.9● In Stock — US Item #: C346886View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- hexadecyl octadecanoate
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
- InChIKey
- SSZBUIDZHHWXNJ-UHFFFAOYSA-N
- InChI
- 1S/C34H68O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
- Synonyms
- hexadecanyl octadecanoate | SCHEMBL60589 | cetyl alcohol stearate | CETYL STEARATE [INCI] | Cetyl stearate | Hexadecy...
- Cetylpyridinium Chloride10mM in DMSO● In Stock — US Item #: C420996View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-hexadecylpyridin-1-ium;chloride
- SMILES
- CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]
- InChIKey
- YMKDRGPMQRFJGP-UHFFFAOYSA-M
- InChI
- 1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1
- Synonyms
- Breath mellow Azalea Peach | Pyrisept | 6BR7T22E2S | Advanced Guard | Colgate Simply Fresh Mint | Multi-Action Antise...
- Cetylpyridinium ChlorideSolid ≥98%● In Stock — US Item #: C129534View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-hexadecylpyridin-1-ium;chloride
- SMILES
- CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]
- InChIKey
- YMKDRGPMQRFJGP-UHFFFAOYSA-M
- InChI
- 1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1
- Synonyms
- Breath mellow Azalea Peach | Pyrisept | 6BR7T22E2S | Advanced Guard | Colgate Simply Fresh Mint | Multi-Action Antise...
- CevimelineCAS: 107233-08-9 Formula: C10H17NOS Molecular Weight: 199.3210mM in DMSO◐ .Made to order · 8–12 wks Item #: C420515View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
- SMILES
- CC1OC2(CN3CCC2CC3)CS1
- InChIKey
- WUTYZMFRCNBCHQ-PSASIEDQSA-N
- InChI
- 1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10-/m1/s1
- Synonyms
- (2R,5'R)-5'-methyl-4-azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxathiolane] | 2-(carboxymethylsulfonyl)acetic acid | D0...
- CevimelineCAS: 107233-08-9 Formula: C10H17NOS Molecular Weight: 199.32Solid ≥98%● In Stock — US Item #: C127650View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
- SMILES
- CC1OC2(CN3CCC2CC3)CS1
- InChIKey
- WUTYZMFRCNBCHQ-PSASIEDQSA-N
- InChI
- 1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10-/m1/s1
- Synonyms
- (2R,5'R)-5'-methyl-4-azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxathiolane] | 2-(carboxymethylsulfonyl)acetic acid | D0...
- Cesium ionophore IICAS: 92003-62-8 Formula: C90H120O18 Molecular Weight: 1489.91● In Stock — US Item #: C342963View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- show more
- InChIKey
- SRCAFCZTEHDYRE-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- ethyl 2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis(2-ethoxy-2-oxoethoxy)-37-heptacyclo[31.3.1.13,7.19,...
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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.