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
- Dehydroevodiamine hydrochlorideCAS: 111664-82-5 Formula: C19H15N3O.HCl Molecular Weight: 337.8● In Stock — US Item #: D413069View ProductPricing & Pack Sizes
Technical Identifiers
- SMILES
- Cl.CN1C2=CC=CC=C2C(=O)N3CCC4=C5C=CC=CC5=NC4=C13
- Synonyms
- Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one,8,14-dihydro-14-methyl-,hydrochloride (1:1)
- Delafloxacin Meglumine, Topoisomerase IV inhibitor● In Stock — US Item #: D413133View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CNCC(C(C(C(CO)O)O)O)O.C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)O
- InChIKey
- AHJGUEMIZPMAMR-WZTVWXICSA-N
- InChI
- show more
- Synonyms
- EX-A3992 | Delafloxacin (meglumine) | UNII-N7V53U4U4T | WQ-3034 meglumine | NSC 55654 | SCHEMBL300983 | (+/-)-1-(3-fl...
- Delafloxacin Meglumine, Topoisomerase IV inhibitorCAS: 352458-37-8 EC Number: 107-332-6 PubChem CID: 11578213 Formula: C25H29ClF3N5O9 Molecular Weight: 635.9710mM in DMSO● In Stock — US Item #: D423575View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CNCC(C(C(C(CO)O)O)O)O.C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)O
- InChIKey
- AHJGUEMIZPMAMR-WZTVWXICSA-N
- InChI
- show more
- Synonyms
- EX-A3992 | Delafloxacin (meglumine) | UNII-N7V53U4U4T | WQ-3034 meglumine | NSC 55654 | SCHEMBL300983 | (+/-)-1-(3-fl...
- Delamanid, Mycobacterium tuberculosis H37Rv inhibitor10mM in DMSO● In Stock — US Item #: D425427View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
- SMILES
- CC1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F
- InChIKey
- XDAOLTSRNUSPPH-XMMPIXPASA-N
- InChI
- show more
- Synonyms
- NCGC00348214-01 | JKLYZOGJWVAIQS-UHFFFAOYSA-N | (R)-2-Methyl-6-nitro-2-((4-(4-(4-(trifluoromethoxy)phenoxy)piperidin-...
- Delamanid, Mycobacterium tuberculosis H37Rv inhibitor● In Stock — US Item #: D413211View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
- SMILES
- CC1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F
- InChIKey
- XDAOLTSRNUSPPH-XMMPIXPASA-N
- InChI
- show more
- Synonyms
- NCGC00348214-01 | JKLYZOGJWVAIQS-UHFFFAOYSA-N | (R)-2-Methyl-6-nitro-2-((4-(4-(4-(trifluoromethoxy)phenoxy)piperidin-...
- Delapril HydrochlorideCAS: 83435-67-0 EC Number: 801-621-7 PubChem CID: 5362115 Formula: C26H32N2O5·HCl Molecular Weight: 489.0110mM in DMSO● In Stock — US Item #: D426158View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid;hydrochloride
- SMILES
- CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2.Cl
- InChIKey
- FDJCVHVKXFIEPJ-JCNFZFLDSA-N
- InChI
- show more
- Synonyms
- Glycine, N-(2,3-dihydro-1H-inden-2-yl)-N-(N-(1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-, monohydrochloride, (S)- |...
- Delavirdine Mesylate● In Stock — US Item #: D134807View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methanesulfonic acid;N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
- SMILES
- CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C.CS(=O)(=O)O
- InChIKey
- MEPNHSOMXMALDZ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 1-[3-[(1-Methylethyl)amino]-2-pyridinyl]-4-[[5-[(methylsulfonyl)amino]-1H-indol-2-yl]carbonyl]-piperazine monomethane...
- Defensamide (MHP)CAS: 1104874-94-3 Formula: C16H23NO4 Molecular Weight: 293.36Solid ≥98%● In Stock — US Item #: D413494View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl (2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoate
- SMILES
- CCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC
- InChIKey
- GBTVWZMJUZJPBU-AWEZNQCLSA-N
- InChI
- 1S/C16H23NO4/c1-3-4-5-6-15(19)17-14(16(20)21-2)11-12-7-9-13(18)10-8-12/h7-10,14,18H,3-6,11H2,1-2H3,(H,17,19)/t14-/m0/s1
- Synonyms
- ZB1539 | (S)-Methyl 2-(hexanamido)-3-(4-hydroxyphenyl)propanoate | (S)-methyl 2-hexanamido-3-(4-hydroxyphenyl)propano...
- DehydrodiisoeugenolCAS: 2680-81-1 Formula: C20H22O4 Molecular Weight: 326.39● In Stock — US Item #: D414335View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
- SMILES
- CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC
- InChIKey
- ITDOFWOJEDZPCF-AATRIKPKSA-N
- InChI
- 1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+
- Synonyms
- Dehydrodiisoeugenol | s9098 | DEHRODIISOEUGENOL | NSC 16743 | Q-100937 | 4-[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-...
- Dehydroepiandrosterone solutionAnalytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 1.00mg/ml in methanol● In Stock — US Item #: D121747View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- (+)-Dehydroisoandrosterone 3β-Hydroxy-5-androsten-17-one 5-Androsten-3β-ol-17-one Dehydroepiandrosterone Dehydroisoan...
- DehydroevodiamineCAS: 67909-49-3 Formula: C19H15N3O Molecular Weight: 301.3510mM in DMSO● In Stock — US Item #: D425410View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,15,17,19-octaen-14-one
- SMILES
- CN1C2=CC=CC=C2C(=O)N3C1=C4C(=C5C=CC=CC5=N4)CC3
- InChIKey
- VXHNSVKJHXSKKM-UHFFFAOYSA-N
- InChI
- 1S/C19H15N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9H,10-11H2,1H3
- Synonyms
- Indolo[2',3':3,4]pyrido[2,1-b]quinazolinium, 5,7,8,13-tetrahydro-14-methyl-5-oxo-, inner salt | AKOS016010126 | BS-17...
- Dehydroevodiamine hydrochlorideCAS: 111664-82-5 Formula: C19H15N3O.HCl Molecular Weight: 337.810mM in DMSO● In Stock — US Item #: D420627View ProductPricing & Pack Sizes
Technical Identifiers
- SMILES
- Cl.CN1C2=CC=CC=C2C(=O)N3CCC4=C5C=CC=CC5=NC4=C13
- Synonyms
- Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one,8,14-dihydro-14-methyl-,hydrochloride (1:1)
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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.