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
24,653Navigate 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
102,665Explore 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)
19,717Find 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 (where available)—to build screening and validation sets.
By Disease (DOID)
8,793Shop 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.
Popular Products
- Gly-Gly-Val-OHCAS: 20274-89-9 Formula: C9H17N3O4 Molecular Weight: 231.24● In Stock — US warehouse, ships to EU* Item #: G355796View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoic acid
- SMILES
- CC(C)C(C(=O)O)NC(=O)CNC(=O)CN
- InChIKey
- OLPPXYMMIARYAL-QMMMGPOBSA-N
- InChI
- 1S/C9H17N3O4/c1-5(2)8(9(15)16)12-7(14)4-11-6(13)3-10/h5,8H,3-4,10H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t8-/m0/s1
- Synonyms
- Glycyl-glycyl-L-valine | glycylglycyl-l-valine | DTXSID10174120 | NSC 163325 | L-Valine, glycylglycyl- | (2S)-2-[2-(2...
- ML 67-33◐ .Made to order · 8–12 wks Item #: M288094View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,7-dichloro-9,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine
- SMILES
- CC1(C2=C(C=CC(=C2)Cl)N(C3=C1C=C(C=C3)Cl)CCC4=NNN=N4)C
- InChIKey
- GQPMJOXQJUGJPG-UHFFFAOYSA-N
- InChI
- 1S/C18H17Cl2N5/c1-18(2)13-9-11(19)3-5-15(13)25(8-7-17-21-23-24-22-17)16-6-4-12(20)10-14(16)18/h3-6,9-10H,7-8H2,1-2H3,(H,21,22,23,24)
- Synonyms
- 10-(2-(1H-Tetrazol-5-yl)ethyl)-2,7-dichloro-9,9-dimethyl-9,10-dihydroacridine | 2,7-Dichloro-9,9-dimethyl-10-[2-(1H-t...
- NS 19504CAS: 327062-46-4 Formula: C10H9BrN2S Molecular Weight: 269.16● In Stock — US warehouse, ships to EU* Item #: N287708View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine
- SMILES
- C1=CC(=CC=C1CC2=CN=C(S2)N)Br
- InChIKey
- HGWLTZOMQZIUBW-UHFFFAOYSA-N
- InChI
- 1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)
- Synonyms
- 5-[(4-Bromophenyl)methyl]-2-thiazolamine
- Glp-I (7-37)Formula: C151H228N40O47 Molecular Weight: 3355.71● In Stock — US warehouse, ships to EU* Item #: G118964View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- GLP-1, 7-37 Preproglucagon 78-108
- GlucoraphaninCAS: 21414-41-5 EC Number: 805-267-4 PubChem CID: 9548634 Formula: C12H23NO10S3 Molecular Weight: 437.51◐ .Made to order · 8–12 wks Item #: G275165View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioate
- SMILES
- CS(=O)CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O
- InChIKey
- GMMLNKINDDUDCF-RFOBZYEESA-N
- InChI
- show more
- Synonyms
- CCRIS 9055 | RAA | 4-methylsulfinylbutyl glucosinolate | MFCD08460269 | SCHEMBL16653150 | DTXSID90894071 | A879116 | ...
- NS 5806CAS: 426834-69-7 Formula: C16H8Br2F6N6O Molecular Weight: 574.07◐ .Made to order · 8–12 wks Item #: N287207View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2,4-dibromo-6-(2H-tetrazol-5-yl)phenyl]urea
- SMILES
- C1=C(C=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=C(C=C2Br)Br)C3=NNN=N3)C(F)(F)F
- InChIKey
- UZWJWROOLOOCPQ-UHFFFAOYSA-N
- InChI
- 1S/C16H8Br2F6N6O/c17-8-4-10(13-27-29-30-28-13)12(11(18)5-8)26-14(31)25-9-2-6(15(19,20)21)1-7(3-9)16(22,23)24/h1-5H,(H2,25,26,31)(H,27,28,29,30)
- Synonyms
- CCG-221844 | BCP33045 | NS 5806; NS5806 | DTXSID30469888 | MolPort-023-277-083 | NCGC00371032-03 | NS5806, >=98% (HPL...
- Gly-Arg-Gly-Asp-Ser TFACAS: 96426-21-0(free base) Formula: C17H30N8O9·xC2HF3O2 Molecular Weight: 490.47(free base)Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: G305036View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- L-Serine, N-(N-(N-(N2-glycyl-L-arginyl)glycyl)-L-alpha-aspartyl)- | Gly-Arg-Gly-Asp-Ser, >=97% (HPLC) | NH2-Gly-Arg-G...
- ACTH (1-10) (human)◐ .Made to order · 8–12 wks Item #: A276078View ProductPricing & Pack Sizes
Technical Identifiers
- AD-mix-αCAS: 153130-59-7 PubChem CID: 92131501Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: A302979View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC[C@@H]1CN2CCC1CC2[C@H](Oc3nnc(O[C@@H](C4CC5CCN4C[C@@H]5CC)c6ccnc7ccc(OC)cc67)c8ccccc38)c9ccnc%10ccc(OC)cc9%10
- InChIKey
- YUCBLVFHJWOYDN-PAXJVCNJSA-N
- InChI
- show more
- NSC 23766● In Stock — US warehouse, ships to EU* Item #: N129204View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-N-[2-[5-(diethylamino)pentan-2-ylamino]-6-methylpyrimidin-4-yl]-2-methylquinoline-4,6-diamine;trihydrochloride
- SMILES
- CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(C=C(N=C3C=C2)C)N)C.Cl.Cl.Cl
- InChIKey
- CPUHORIUXPQCHW-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- NSC23766 trihydrochloride | UNM-0000305815 | BN162673 | CCG-265031 | EX-A3156 | NSC23766 3HCl salt | NSC 23766 trihyd...
- NSC 26480 (5,6-dihydro-5-azacytidine)CAS: 62402-31-7 Formula: C8H14N4O5.HCl Molecular Weight: 282.68◐ .Made to order · 8–12 wks Item #: N275914View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;hydrochloride
- SMILES
- C1N=C(NC(=O)N1C2C(C(C(O2)CO)O)O)N.Cl
- InChIKey
- MRFRLYAOBSTHHU-MVNLRXSJSA-N
- InChI
- 1S/C8H14N4O5.ClH/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6;/h3-6,13-15H,1-2H2,(H3,9,10,11,16);1H/t3-,4-,5-,6-;/m1./s1
- Synonyms
- 1,3,5-TRIAZIN-2(1H)-ONE, 4-AMINO-5,6-DIHYDRO-1-.BETA.-D-RIBOFURANOSYL-, MONOHYDROCHLORIDE | TA5S1BS78J | 1,3,5-Triazi...
- Mal-amido-PEG8-acidCAS: 1334177-86-4 Formula: C26H44N2O13 Molecular Weight: 592.63Solid ≥95%● In Stock — US warehouse, ships to EU* Item #: M337303View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
- SMILES
- C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
- InChIKey
- ARKUDJPBDMAVBL-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Mal-Amido-PEG8-Propionic 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.