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
24,635Navigate 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 (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
102,621Explore 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
- AUNP-1210mM in Water◐ .Made to order · 8–12 wks Item #: A421343View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
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- InChIKey
- ZBJUUYIGBAQYBN-QKLNNLIKSA-N
- InChI
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- Synonyms
- AUNP-12|1353563-85-5|CHEMBL4635204|EX-A7438
- AVL-292, Inhibitor of Bruton tyrosine kinase;Inhibitor of YES proto-oncogene 1; Src family tyrosine kinaseCAS: 1202757-89-8 Formula: C22H22FN5O3 Molecular Weight: 423.44Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A420893View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
- SMILES
- COCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)NC(=O)C=C)F
- InChIKey
- KXBDTLQSDKGAEB-UHFFFAOYSA-N
- InChI
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- Synonyms
- DRU6NG543J | HMS3674E05 | HY-18012 | n-(3-(5-fluoro-2-(4-(2-methoxyethoxy)phenylamino)pyrimidin-4-ylamino)phenyl)acry...
- AWD 131-138CAS: 188116-07-6 Formula: C13H14ClN3O2 Molecular Weight: 279.7210mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A422296View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(4-chlorophenyl)-5-morpholin-4-yl-4H-imidazol-2-one
- SMILES
- C1COCCN1C2=NC(=O)N(C2)C3=CC=C(C=C3)Cl
- InChIKey
- IQHYCZKIFIHTAI-UHFFFAOYSA-N
- InChI
- 1S/C13H14ClN3O2/c14-10-1-3-11(4-2-10)17-9-12(15-13(17)18)16-5-7-19-8-6-16/h1-4H,5-9H2
- Synonyms
- Imepitoin|188116-07-6|AWD 131-138|Pexion|Imepition|Imepitoin [INN]|2H-Imidazol-2-one, 1-(4-chlorophenyl)-1,5-dihydro-...
- AWZ1066SCAS: 2239272-16-1 Formula: C19H19F3N6O Molecular Weight: 404.4◐ .Made to order · 8–12 wks Item #: A412552View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(3S)-3-methylmorpholin-4-yl]-N-[[2-(trifluoromethyl)pyridin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
- SMILES
- CC1COCCN1C2=NC3=C(C=CC=N3)C(=N2)NCC4=C(N=CC=C4)C(F)(F)F
- InChIKey
- IZFVCNUAPFSNCO-LBPRGKRZSA-N
- InChI
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- AZ5104, Inhibitor of epidermal growth factor receptorCAS: 1421373-98-9 Formula: C27H31N7O2 Molecular Weight: 485.58Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A421560View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
- SMILES
- CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CNC4=CC=CC=C43)OC
- InChIKey
- IQNVEOMHJHBNHC-UHFFFAOYSA-N
- InChI
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- Synonyms
- 2-Propenamide, N-(2-((2-(dimethylamino)ethyl)methylamino)-5-((4-(1H-indol-3-yl)-2-pyrimidinyl)amino)-4-methoxyphenyl)...
- AZ876, Agonist of Liver X receptor-α;Agonist of Liver X receptor-βCAS: 898800-26-5 Formula: C24H29N3O3S Molecular Weight: 439.57Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A426748View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-tert-butyl-1,1-dioxo-5-phenyl-4-(4-piperidin-1-ylanilino)-1,2-thiazol-3-one
- SMILES
- CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=CC=C(C=C3)N4CCCCC4
- InChIKey
- IVANYIPLGFVBGR-UHFFFAOYSA-N
- InChI
- 1S/C24H29N3O3S/c1-24(2,3)27-23(28)21(22(31(27,29)30)18-10-6-4-7-11-18)25-19-12-14-20(15-13-19)26-16-8-5-9-17-26/h4,6-7,10-15,25H,5,8-9,16-17H2,1-3H3
- Synonyms
- 3(2H)-Isothiazolone,2-(1,1-dimethylethyl)-5-phenyl-4-[[4-(1-piperidinyl)phenyl]amino]-,1,1-dioxide
- AZA1CAS: 1071098-42-4 Formula: C22H20N6 Molecular Weight: 368.4● In Stock — US warehouse, ships to EU* Item #: A412906View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
- SMILES
- CC1=CC2=C(N1)C=CC(=C2)NC3=NC(=NC=C3)NC4=CC5=C(C=C4)NC(=C5)C
- InChIKey
- SYWHWWKOIJCMKF-UHFFFAOYSA-N
- InChI
- 1S/C22H20N6/c1-13-9-15-11-17(3-5-19(15)24-13)26-21-7-8-23-22(28-21)27-18-4-6-20-16(12-18)10-14(2)25-20/h3-12,24-25H,1-2H3,(H2,23,26,27,28)
- Synonyms
- N2,N4-Bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
- ATH686CAS: 853299-52-2 Formula: C25H28F3N7O2 Molecular Weight: 515.5● In Stock — US warehouse, ships to EU* Item #: A412170View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
- SMILES
- CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC(=NC=C4)N)C(F)(F)F
- InChIKey
- VQQRBBFRJRBWPF-UHFFFAOYSA-N
- InChI
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- ATI-2341 TFA10mM in DMSO◐ .Made to order · 8–12 wks Item #: A421277View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
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- InChIKey
- YMLOFEANRZSEGQ-QNHYGVTPSA-N
- InChI
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- Synonyms
- (2S,3Z,5S,6Z,8S,9Z,11S,12Z,14S)-11-(4-aminobutyl)-14-((Z)-((2S,3Z,5S,6Z,8S,9Z,11S,12Z,14S,15Z,17S,18Z,20S,21Z,23S,24Z...
- ATN 161CAS: 262438-43-7 Formula: C23H35N9O8S Molecular Weight: 597.6510mM in Water● In Stock — US warehouse, ships to EU* Item #: A422926View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC(=O)N1CCCC1C(=O)NC(CC2=CN=CN2)C(=O)NC(CO)C(=O)NC(CS)C(=O)NC(CC(=O)N)C(=O)N
- InChIKey
- MMHDBUJXLOFTLC-WOYTXXSLSA-N
- InChI
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- Synonyms
- s8454 | ATN-161 free base | XW0H5LE42K | A919255 | ATN-161 (Ac-PHSCN-NH2) | L-Aspartamide, 1-acetyl-L-prolyl-L-histid...
- ATP synthase inhibitor 1CAS: 1023043-30-2 Formula: C17H18ClN3O3S2 Molecular Weight: 411.9● In Stock — US warehouse, ships to EU* Item #: A413026View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 8-(5-chlorothiophen-2-yl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
- SMILES
- C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Cl
- InChIKey
- RYWWSVHLSVFIIG-UHFFFAOYSA-N
- InChI
- 1S/C17H18ClN3O3S2/c18-14-6-7-15(25-14)26(23,24)20-10-8-17(9-11-20)16(22)19-12-21(17)13-4-2-1-3-5-13/h1-7H,8-12H2,(H,19,22)
- AU1235CAS: 1338780-86-1 Formula: C17H19F3N2O Molecular Weight: 324.3410mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A421285View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(1-adamantyl)-3-(2,3,4-trifluorophenyl)urea
- SMILES
- C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=C(C(=C(C=C4)F)F)F
- InChIKey
- PYDHHHKUANVSJV-UHFFFAOYSA-N
- InChI
- 1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-16(23)22-17-6-9-3-10(7-17)5-11(4-9)8-17/h1-2,9-11H,3-8H2,(H2,21,22,23)
- Synonyms
- Urea,N-tricyclo[3.3.1.13,7]dec-1-yl-N'-(2,3,4-trifluorophenyl)-
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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.