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
24,638Navigate 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
2,815PROTAC 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
102,614Explore 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
- DL-TheanineCAS: 34271-54-0 Formula: C7H14N2O3 Molecular Weight: 174.20● In Stock — US Item #: D349984View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-5-(ethylamino)-5-oxopentanoic acid
- SMILES
- CCNC(=O)CCC(C(=O)O)N
- InChIKey
- DATAGRPVKZEWHA-UHFFFAOYSA-N
- InChI
- 1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)
- Synonyms
- A822145 | FT-0656318 | MFCD00059653 | NSC21308 | LS-13325 | FT-0628022 | AKOS006230087 | AC-23977 | DL-Theanine (H-DL...
- DM 235CAS: 314728-85-3 Formula: C14H18N2O2 Molecular Weight: 246.31● In Stock — US Item #: D349121View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-benzoylpiperazin-1-yl)propan-1-one
- SMILES
- CCC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2
- InChIKey
- DGOWDUFJCINDGI-UHFFFAOYSA-N
- InChI
- 1S/C14H18N2O2/c1-2-13(17)15-8-10-16(11-9-15)14(18)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
- Synonyms
- DM-235 | NCGC00015350-02 | 1-(4-benzoylpiperazin-1-yl)propan-1-one | DM235 | DM-235 | HMS3261C21 | SUNIFIRAM | 1-Prop...
- DL-myo-Inositol 1,4,5-Trisphosphate Hexaammonium Salt◐ .Made to order · 8–12 wks Item #: D350838View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- hexaazanium;[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-diphosphonatooxycyclohexyl] phosphate
- SMILES
- C1(C(C(C(C(C1OP(=O)([O-])[O-])O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
- InChIKey
- LIYOERFOZGUFMQ-PPKFVSOLSA-N
- InChI
- show more
- Synonyms
- Hexakisammonium (1R,2R,3S,4R,5R,6S)-3,5,6-trihydroxycyclohexane-1,2,4-triyl tris(phosphate) | DL-myo-Inositol 1,4,5-T...
- DL5H3● In Stock — US Item #: D413121View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(3E)-3-benzylidene-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-3-piperidin-1-ylpropanamide
- SMILES
- C1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N4CCC(=CC5=CC=CC=C5)C4=N3
- InChIKey
- IKZNFIXEWJBYCF-LVZFUZTISA-N
- InChI
- show more
- DL-β-LeucineCAS: 5699-54-7 Formula: C6H13NO2 Molecular Weight: 131.1710mM in Water● In Stock — US Item #: D424812View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-amino-4-methylpentanoic acid
- SMILES
- CC(C)C(CC(=O)O)N
- InChIKey
- GLUJNGJDHCTUJY-UHFFFAOYSA-N
- InChI
- 1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
- Synonyms
- F0913-5477 | RP-13057 | C-1739 | racemic 3-amino-4-methylpentanoic acid | W-107516 | AS-59830 | SY064256 | W-107314 |...
- DLin-KC2-DMACAS: 1190197-97-7 Formula: C43H79NO2 Molecular Weight: 642.09Liquid ≥98%● In Stock — US Item #: D412292View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]-N,N-dimethylethanamine
- SMILES
- CCCCCC=CCC=CCCCCCCCCC1(OCC(O1)CCN(C)C)CCCCCCCCC=CCC=CCCCCC
- InChIKey
- LRFJOIPOPUJUMI-KWXKLSQISA-N
- InChI
- show more
- Synonyms
- 1,3-Dioxolane-4-ethanamine,N,N-dimethyl-2,2-di-(9Z,12Z)-9,12-octadecadien-1-yl-
- DLinDMACAS: 871258-12-7 Formula: C41H77NO2 Molecular Weight: 616.16● In Stock — US Item #: D413024View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N,N-dimethyl-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoxy]propan-1-amine
- SMILES
- CCCCCC=CCC=CCCCCCCCCOCC(CN(C)C)OCCCCCCCCC=CCC=CCCCCC
- InChIKey
- NFQBIAXADRDUGK-KWXKLSQISA-N
- InChI
- show more
- Synonyms
- 1-Propanamine, N,N-dimethyl-2,3-bis((9Z,12Z)-9,12-octadecadien-1-yloxy)- | NFQBIAXADRDUGK-KWXKLSQISA-N | 1,2-dilinole...
- DMOGCAS: 89464-63-1 Formula: C6H9NO5 Molecular Weight: 175.1410mM in DMSO● In Stock — US Item #: D408454View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Dimethyloxalylglycine | N-(2-Methoxy-2-oxoacetyl)glycine methyl ester
- DREADD Agonist 21CAS: 56296-18-5 Formula: C17H18N4 Molecular Weight: 278.3510mM in DMSO● In Stock — US Item #: D424767View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
- SMILES
- C1CN(CCN1)C2=NC3=CC=CC=C3NC4=CC=CC=C42
- InChIKey
- JCBYXNSOLUVGTF-UHFFFAOYSA-N
- InChI
- 1S/C17H18N4/c1-2-6-14-13(5-1)17(21-11-9-18-10-12-21)20-16-8-4-3-7-15(16)19-14/h1-8,18-19H,9-12H2
- Synonyms
- 11-(piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine | 11-Piperazinyldibenzo[b,e][1,4]diazepine dihydrochloride | Compou...
- DNP-DL-methionine sulfoneCAS: 16068-18-1 Formula: C11H13N3O8S Molecular Weight: 347.3● In Stock — US Item #: D351851View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(2,4-dinitroanilino)-4-methylsulfonylbutanoic acid
- SMILES
- CS(=O)(=O)CCC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
- InChIKey
- KFPFJKADCNQPPQ-UHFFFAOYSA-N
- InChI
- 1S/C11H13N3O8S/c1-23(21,22)5-4-9(11(15)16)12-8-3-2-7(13(17)18)6-10(8)14(19)20/h2-3,6,9,12H,4-5H2,1H3,(H,15,16)
- DS-1001b (DS 1001), Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor● In Stock — US Item #: D414241View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-3-[1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methylindol-4-yl]prop-2-enoic acid;2-methylpropan-2-amine
- SMILES
- CC1=CN(C2=CC=CC(=C12)C=CC(=O)O)C(=O)C3=C(ON=C3C4=C(C=C(C=C4Cl)Cl)Cl)C(C)(C)F.CC(C)(C)N
- InChIKey
- UPPAAWQBZQBNIE-USRGLUTNSA-N
- InChI
- show more
- Synonyms
- C29H29Cl3FN3O4 | 2-Methylpropan-2-amine (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbon...
- DTP3● In Stock — US Item #: D413797View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-2-[[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
- SMILES
- CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CC=CC=C2)C(=O)N
- InChIKey
- AOUZPXZGMZUQQS-YPAWHYETSA-N
- InChI
- show more
- Synonyms
- (2R)-2-[[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminome...
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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.