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
102,622Explore 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
- PDD 00017273● In Stock — US Item #: P287939View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
- SMILES
- CC1=NN(C(=C1)CN2C3=C(C=C(C=C3)S(=O)(=O)NC4(CC4)C)C(=O)N(C2=O)CC5=CN=C(S5)C)C
- InChIKey
- IFWUBRBMMNTBRZ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 1-[(1,3-Dimethyl-1H-pyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-N-(1-methylcyclopropyl)-3-[(2-methyl-5-thiazolyl)methyl]-...
- PDM 2● In Stock — US Item #: P335693View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,3-dichloro-5-[(E)-2-(4-chlorophenyl)ethenyl]benzene
- SMILES
- C1=CC(=CC=C1C=CC2=CC(=CC(=C2)Cl)Cl)Cl
- InChIKey
- JMYNPQVCVQVODQ-OWOJBTEDSA-N
- InChI
- 1S/C14H9Cl3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H/b2-1+
- Synonyms
- 1,3-dichloro-5-[(1E)-2-(4-chlorophenyl)ethenyl]-benzene
- LY 344864CAS: 186544-26-3 Formula: C21H22FN3O Molecular Weight: 351.42Solid ≥98%◐ .Made to order · 8–12 wks Item #: L275107View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(6R)-6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride
- SMILES
- CN(C)C1CCC2=C(C1)C3=C(N2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)F.Cl
- InChIKey
- OKUHLSYESBLBCP-PKLMIRHRSA-N
- InChI
- show more
- Synonyms
- N-[(3R)-3-(Dimethylamino)-2,3,4,9-tetrahydro-1H-carbazol-6-yl]-4-fluorobenzamidehydrochloride
- LY 393558CAS: 271780-64-4 Formula: C26H31FN4O4S2 Molecular Weight: 546.68◐ .Made to order · 8–12 wks Item #: L288635View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-6-methylsulfonyl-3-propan-2-yl-4H-2λ6,1,3-benzothiadiazine 2,2-dioxide
- SMILES
- CC(C)N1CC2=C(C=CC(=C2)S(=O)(=O)C)N(S1(=O)=O)CCN3CCC(=CC3)C4=CNC5=C4C=CC(=C5)F
- InChIKey
- QUSLYAPLTMMCFE-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 1-[2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-6-methylsulfonyl-3-propan-2-yl-4H-2lambda6,1,3-be...
- LY 456236 hydrochloride● In Stock — US Item #: L274794View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-methoxy-N-(4-methoxyphenyl)quinazolin-4-amine;hydrochloride
- SMILES
- COC1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)OC.Cl
- InChIKey
- AVKFOWUSTVWZQN-UHFFFAOYSA-N
- InChI
- 1S/C16H15N3O2.ClH/c1-20-12-5-3-11(4-6-12)19-16-14-9-13(21-2)7-8-15(14)17-10-18-16;/h3-10H,1-2H3,(H,17,18,19);1H
- Synonyms
- Avasimibe (USAN/INN) | LY456236 | LY-456236 | 6-methoxy-N-(4-methoxyphenyl)quinazolin-4-amine hydrochloride. | A92450...
- Laminin (929-933) TFACAS: 110590-64-2(free) Formula: C26H42N8O8·xCF3CO2H Molecular Weight: 594.67(free)● In Stock — US Item #: L302195View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Laminin Pentapeptide TFA | Tyr-Ile-Gly-Ser-Arg TFA | Laminin Fragment 929-933 TFA
- MCAAD-3CAS: 1625629-51-7 Formula: C17H18N2O2 Molecular Weight: 282.34≥99% mixture of isomers● In Stock — US Item #: M276188View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl (2Z,4E,6E)-2-cyano-7-[4-(dimethylamino)phenyl]hepta-2,4,6-trienoate
- SMILES
- CN(C)C1=CC=C(C=C1)C=CC=CC=C(C#N)C(=O)OC
- InChIKey
- VUICGFIMDGFKFH-FGHSSWIZSA-N
- InChI
- 1S/C17H18N2O2/c1-19(2)16-11-9-14(10-12-16)7-5-4-6-8-15(13-18)17(20)21-3/h4-12H,1-3H3/b6-4+,7-5+,15-8-
- Synonyms
- methyl(2Z,4E,6E)-2-cyano-7-[4-(dimethylamino)]hepta-2,4,6-trienoate
- Fmoc-L-beta-homoglutamine● In Stock — US Item #: F338310View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S)-6-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexanoic acid
- SMILES
- C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCC(=O)N)CC(=O)O
- InChIKey
- GMXKYUGMPJITQT-ZDUSSCGKSA-N
- InChI
- show more
- Synonyms
- MFCD01862847 | (S)-5-Carbamoyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid | (S)-5-Carbamoyl-3-(9H-fluoren-...
- LEE011 succinate, Cyclin-dependent kinase 6 inhibitorCAS: 1374639-75-4 Formula: C27H36N8O5 Molecular Weight: 552.63● In Stock — US Item #: L302513View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- butanedioic acid;7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
- SMILES
- CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5.C(CC(=O)O)C(=O)O
- InChIKey
- NHANOMFABJQAAH-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- D10979 | Q27274660 | SB18482 | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]...
- GZD824 DimesylateCAS: 1421783-64-3 Formula: C31H35F3N6O7S2 Molecular Weight: 724.77● In Stock — US Item #: G129296View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methanesulfonic acid;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide
- SMILES
- CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CC5=C(NN=C5)N=C4.CS(=O)(=O)O.CS(=O)(=O)O
- InChIKey
- LEVIGHXVOVROGW-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- AKOS026750482 | SCHEMBL14953403 | GZD824 Dimesylate | GZD-824 Dimesylate | LEVIGHXVOVROGW-UHFFFAOYSA-N | GLXC-90385 |...
- MI 2CAS: 1047953-91-2 Formula: C19H17Cl3N4O3 Molecular Weight: 455.72● In Stock — US Item #: M276284View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-chloro-N-[4-[5-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]phenyl]acetamide
- SMILES
- COCCOC1=NN(C(=N1)C2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)NC(=O)CCl
- InChIKey
- TWJGQZBSEMDPQP-UHFFFAOYSA-N
- InChI
- 1S/C19H17Cl3N4O3/c1-28-8-9-29-19-24-18(12-2-7-15(21)16(22)10-12)26(25-19)14-5-3-13(4-6-14)23-17(27)11-20/h2-7,10H,8-9,11H2,1H3,(H,23,27)
- Synonyms
- 2-Chloro-N-[4-[5-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl]acetamide | MI-2 (MALT1 inhibi...
- MI-2CAS: 1271738-62-5 Formula: C18H25N5S2 Molecular Weight: 375.55● In Stock — US Item #: M125261View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine
- SMILES
- CCCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C4=NCC(S4)(C)C
- InChIKey
- SRQYLNYQAPCPIR-UHFFFAOYSA-N
- InChI
- 1S/C18H25N5S2/c1-4-5-13-10-14-15(20-12-21-16(14)24-13)22-6-8-23(9-7-22)17-19-11-18(2,3)25-17/h10,12H,4-9,11H2,1-3H3
- Synonyms
- 4-[4-(5,5-dimethyl-4H-thiazol-2-yl)piperazin-1-yl]-6-propyl-thieno[2,3-d]pyrimidine | A899077 | Menin-MLL inhibitor 2...
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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.