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
- ML-SI3Liquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: M580441View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
- SMILES
- COC1=CC=CC=C1N2CCN(CC2)C3CCCCC3NS(=O)(=O)C4=CC=CC=C4
- InChIKey
- OVTXOMMQHRIKGL-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- HMS2929M22 | N-(2-[4-(2-Methoxyphenyl)-1-piperazinyl]cyclohexyl)benzenesulfonamide | Z90493460 | CCG-143140 | HY-1394...
- 3-Nitropropionic acid● In Stock — US warehouse, ships to EU* Item #: N106587View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-nitropropanoic acid
- SMILES
- C(C[N+](=O)[O-])C(=O)O
- InChIKey
- WBLZUCOIBUDNBV-UHFFFAOYSA-N
- InChI
- 1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
- Synonyms
- 3-NP | Bovinocidin | 3-NP acid | β-Nitropropionic acid
- N-(1，3，4-Thiadiazolyl)nicotinamideCAS: 51987-99-6 Formula: C8H6N4OS Molecular Weight: 206.22● In Stock — US warehouse, ships to EU* Item #: N134991View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
- SMILES
- C1=CC(=CN=C1)C(=O)NC2=NN=CS2
- InChIKey
- AGEGZHOPKZFKBP-UHFFFAOYSA-N
- InChI
- 1S/C8H6N4OS/c13-7(6-2-1-3-9-4-6)11-8-12-10-5-14-8/h1-5H,(H,11,12,13)
- Synonyms
- AKOS002308041 | S0158 | EN300-261058 | HY-W008574 | SCHEMBL3178559 | BCA98799 | FT-0675142 | n-(1,3,4-thiadiazol-2-yl...
- MYF-01-37CAS: 2416417-65-5 Formula: C15H17F3N2O Molecular Weight: 298.3Liquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: M492060View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[3-methyl-3-[3-(trifluoromethyl)anilino]pyrrolidin-1-yl]prop-2-en-1-one
- SMILES
- CC1(CCN(C1)C(=O)C=C)NC2=CC=CC(=C2)C(F)(F)F
- InChIKey
- MTBDEVWWJBIUOK-UHFFFAOYSA-N
- InChI
- 1S/C15H17F3N2O/c1-3-13(21)20-8-7-14(2,10-20)19-12-6-4-5-11(9-12)15(16,17)18/h3-6,9,19H,1,7-8,10H2,2H3
- Synonyms
- 1-(3-(3-(trifluoromethyl)phenylamino)-3-methylpyrrolidin-1-yl)prop-2-en-1-one
- Mezlocillin Sodium, Bacterial penicillin-binding protein inhibitor● In Stock — US warehouse, ships to EU* Item #: M491840View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)[O-])C.[Na+]
- InChIKey
- GTGQRSIMEUWHPA-ZBJAFUORSA-M
- InChI
- show more
- Synonyms
- AKOS025310095 | Antibiotic bay-f 1353 | SCHEMBL41074 | sodium 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1...
- Milbemycin oximeCAS: 129496-10-2 Formula: C31H43NO7(A3)C32H45NO7(A4) Molecular Weight: 541.68/555.70≥95% A4/(A3+A4)≥0.8● In Stock — US warehouse, ships to EU* Item #: M493305View ProductPricing & Pack Sizes
Technical Identifiers
- Methyl 11-aminoundecanoate hydrochlorideCAS: 29833-32-7 Formula: C12H26ClNO2 Molecular Weight: 251.79◐ .Made to order · 8–12 wks Item #: M493072View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 11-aminoundecanoate;hydrochloride
- SMILES
- COC(=O)CCCCCCCCCCN.Cl
- InChIKey
- IWHIKEQZPPYMOH-UHFFFAOYSA-N
- InChI
- 1S/C12H25NO2.ClH/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13;/h2-11,13H2,1H3;1H
- Synonyms
- BS-44957 | 11-aminoundecanoic acid methyl ester hydrochloride | methyl 11-aminoundecanoate hydrochloride | methyl 11-...
- MCB-613CAS: 1162656-22-5 Formula: C20H20N2O Molecular Weight: 304.39● In Stock — US warehouse, ships to EU* Item #: M418553View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2E,6E)-4-ethyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one
- SMILES
- CCC1CC(=CC2=CN=CC=C2)C(=O)C(=CC3=CN=CC=C3)C1
- InChIKey
- MMBSCBVEHMETSA-GDAWTGGTSA-N
- InChI
- 1S/C20H20N2O/c1-2-15-9-18(11-16-5-3-7-21-13-16)20(23)19(10-15)12-17-6-4-8-22-14-17/h3-8,11-15H,2,9-10H2,1H3/b18-11+,19-12+
- MTEP hydrochlorideCAS: 1186195-60-7 Formula: C11H9ClN2S Molecular Weight: 236.72◐ .Made to order · 8–12 wks Item #: M275829View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole;hydrochloride
- SMILES
- CC1=NC(=CS1)C#CC2=CN=CC=C2.Cl
- InChIKey
- YCIOJDKGCWAHLR-UHFFFAOYSA-N
- InChI
- 1S/C11H8N2S.ClH/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10;/h2-3,6-8H,1H3;1H
- Synonyms
- DTXSID40662767 | MTEP hydrochloride | Pyridine, 3-[2-(2-methyl-4-thiazolyl)ethynyl]-, hydrochloride (1:1) | 3-((2-met...
- LM11A-3110mM in DMSO◐ .Made to order · 8–12 wks Item #: L580433View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
- SMILES
- CCC(C)C(C(=O)NCCN1CCOCC1)N
- InChIKey
- YNMUTYLWSRFTPX-UHFFFAOYSA-N
- InChI
- 1S/C12H25N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)
- LCH-7749944CAS: 796888-12-5 Formula: C20H22N4O2 Molecular Weight: 350.41Liquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: L580432View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-N-(3-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
- SMILES
- COC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4CCCO4
- InChIKey
- FBWZAFQEOKNGQL-UHFFFAOYSA-N
- InChI
- 1S/C20H22N4O2/c1-25-15-7-4-6-14(12-15)22-20-23-18-10-3-2-9-17(18)19(24-20)21-13-16-8-5-11-26-16/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H2,21,22,23,24)
- Luteolin-7-O-glucuronideCAS: 29741-10-4 Formula: C21H18O12 Molecular Weight: 462.3610mM in DMSO◐ .Made to order · 8–12 wks Item #: L580436View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- SMILES
- C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
- InChIKey
- VSUOKLTVXQRUSG-ZFORQUDYSA-N
- InChI
- show more
- Synonyms
- R4346D0X7P | Luteolin-7-O-glucuronside | BDBM226184 | luteolin 7-O-beta-D-glucosiduronic acid | UNII-R4346D0X7P | Lut...
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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.