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
24,672Navigate 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
102,686Explore 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)
19,733Find 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)
8,799Shop 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
- ZM 39923 HClCAS: 1021868-92-7 Formula: C23H25NO.HCl Molecular Weight: 367.91Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%● In Stock — US Item #: Z129618View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;hydrochloride
- SMILES
- CC(C)N(CCC(=O)C1=CC2=CC=CC=C2C=C1)CC3=CC=CC=C3.Cl
- InChIKey
- NJTUORMLOPXPBY-UHFFFAOYSA-N
- InChI
- 1S/C23H25NO.ClH/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22;/h3-13,16,18H,14-15,17H2,1-2H3;1H
- Synonyms
- DTXSID301017077 | 3-BENZYLISOPROPYLAMINO-1-NAPHTHALEN-2-YL-PROPAN-1-ONE HYDROCHLORIDE | ZM39923 HCl;ZM-39923 HCl | 3-...
- Fosinopril Sodium, Angiotensin-converting enzyme inhibitorCAS: 88889-14-9 EC Number: 620-449-1 PubChem CID: 23681451 Formula: C30H45NO7P·Na Molecular Weight: 585.64Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%● In Stock — US Item #: F129333View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;(2S,4S)-4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate
- SMILES
- CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)[O-])C3CCCCC3.[Na+]
- InChIKey
- TVTJZMHAIQQZTL-HREVRLCXSA-M
- InChI
- show more
- Synonyms
- Fosinopril, (1(S*(R*)),2 alpha,4 beta)-Isomer | Fosinopril sodium- Bio-X | A842989 | HY-P0018 | FOSINOPRIL SODIUM (US...
- Folinic acid, calcium salt pentahydrateCAS: 6035-45-6 Formula: C20H21CaN7O7.5H2O Molecular Weight: 601.59● In Stock — US Item #: F304111View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate;pentahydrate
- SMILES
- C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Ca+2]
- InChIKey
- NPPBLUASYYNAIG-ZIGBGYJWSA-L
- InChI
- show more
- Synonyms
- CALCII FOLINAS [WHO-IP LATIN] | 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N,beta-trimethyl-, (+)-, (Z)-2-b...
- ZK 93426 hydrochloride◐ .Made to order · 8–12 wks Item #: Z287475View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
- SMILES
- CCOC(=O)C1=NC=C2C(=C1C)C3=C(N2)C=CC=C3OC(C)C.Cl
- InChIKey
- RNQJDOYVHCISJU-UHFFFAOYSA-N
- InChI
- 1S/C18H20N2O3.ClH/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3;/h6-10,20H,5H2,1-4H3;1H
- Synonyms
- 1216792-30-1 | ZK 93426 HYDROCHLORIDE | Ethyl 5-isopropoxy-4-methyl-9H-beta-carboline-3-carboxylate hydrochloride | D...
- Fosaprepitant dimeglumine salt, Neurokinin 1 receptor antagonist● In Stock — US Item #: F129424View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F.CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O
- InChIKey
- VRQHBYGYXDWZDL-OOZCZQCLSA-N
- InChI
- show more
- Synonyms
- D-Glucitol, 1-deoxy-1-(methylamino)-, (3-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluoropheny...
- Z-VDVAD-FMK◐ .Made to order · 8–12 wks Item #: V275850View ProductPricing & Pack Sizes
Technical Identifiers
- ZK756326 dihydrochloride● In Stock — US Item #: Z286846View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol;dihydrochloride
- SMILES
- C1CN(CCN1CCOCCO)CC2=CC(=CC=C2)OC3=CC=CC=C3.Cl.Cl
- InChIKey
- MPACCEKWFGWZHS-UHFFFAOYSA-N
- InChI
- 1S/C21H28N2O3.2ClH/c24-14-16-25-15-13-22-9-11-23(12-10-22)18-19-5-4-8-21(17-19)26-20-6-2-1-3-7-20;;/h1-8,17,24H,9-16,18H2;2*1H
- Synonyms
- 2-[2-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]ethoxy]ethanol dihydrochloride
- Formyl-L-phenylalanine methyl esterCAS: 2311-21-9 Formula: C11H13NO3 Molecular Weight: 207.23● In Stock — US Item #: F339430View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl (2S)-2-formamido-3-phenylpropanoate
- SMILES
- COC(=O)C(CC1=CC=CC=C1)NC=O
- InChIKey
- OPHMCBWUQRAKEO-JTQLQIEISA-N
- InChI
- 1S/C11H13NO3/c1-15-11(14)10(12-8-13)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,12,13)/t10-/m0/s1
- Synonyms
- MFCD00153453 | For-Phe-OMe | (S)-Methyl2-formamido-3-phenylpropanoate | (S)-Methyl 2-formamido-3-phenylpropanoate | O...
- ZK 164015◐ .Made to order · 8–12 wks Item #: Z288213View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-hydroxyphenyl)-3-methyl-1-(10-pentylsulfonyldecyl)indol-5-ol
- SMILES
- CCCCCS(=O)(=O)CCCCCCCCCCN1C2=C(C=C(C=C2)O)C(=C1C3=CC=C(C=C3)O)C
- InChIKey
- LYJSJVYJLZOMCD-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- J-011295 | HMS3677K07 | HMS3413K07 | BRD-K05151076-001-01-8 | ZK164015 | ZK-164015 | DTXSID00430964 | Q27163881 | BDB...
- Fmoc-β-Ala-OPfpCAS: 149303-38-8 Formula: C24H16F5NO4 Molecular Weight: 477.38● In Stock — US Item #: F345092View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2,3,4,5,6-pentafluorophenyl) 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
- SMILES
- C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCC(=O)OC4=C(C(=C(C(=C4F)F)F)F)F
- InChIKey
- HKRARRDDNQDLOY-UHFFFAOYSA-N
- InChI
- 1S/C24H16F5NO4/c25-18-19(26)21(28)23(22(29)20(18)27)34-17(31)9-10-30-24(32)33-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,30,32)
- Synonyms
- Fmoc-β-alanine pentafluorophenyl ester | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-beta-alanine pentafluorophenyl ester
- N-butyryl-L-Homoserine lactoneCAS: 67605-85-0 Formula: C8H13NO3 Molecular Weight: 171.19Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%● In Stock — US Item #: N336049View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(3S)-2-oxooxolan-3-yl]butanamide
- SMILES
- CCCC(=O)NC1CCOC1=O
- InChIKey
- VFFNZZXXTGXBOG-LURJTMIESA-N
- InChI
- 1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
- Synonyms
- N-(butyryl)-L-homoserine lactone | C4-HSL | SR-01000946805 | C4-HSL;N-Butyryl-L-homoserine lactone | N-[(3s)-2-Oxotet...
- Z-Leu-Leu-CHO◐ .Made to order · 8–12 wks Item #: L276370View ProductPricing & Pack Sizes
Technical Identifiers
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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.