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
102,622Explore 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 (where available)—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
- Enterostatin human● In Stock — US Item #: E118905View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(C(=O)N1CCCC1C(=O)NCC(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)O)N
- InChIKey
- ITZMJCSORYKOSI-AJNGGQMLSA-N
- InChI
- show more
- Synonyms
- APGPR | AS-76122 | Q5380242 | Enterostatin human | UNII-C9R6HY7YRT | (2S)-2-{[(2S)-1-(2-{[(2S)-1-[(2S)-2-aminopropano...
- ISOX DUALCAS: 1962928-22-8 Formula: C31H41N5O3 Molecular Weight: 531.69◐ .Made to order · 8–12 wks Item #: I288673View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]phenoxy]-N,N-dimethylpropan-1-amine
- SMILES
- CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)OCCCN(C)C)CCN5CCOCC5
- InChIKey
- HCDQWCDANVEBQR-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- BDBM188520 | ISOX-DUAL, >=98% (HPLC) | 3-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazo...
- IfosfamideMoligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Pharmaceutical grade ? Pharmaceutical grade — purity and documentation suitable for drug applications. Use for API/excipient work requiring pharma-level quality and traceability.● In Stock — US Item #: I123381View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N,3-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
- SMILES
- C1CN(P(=O)(OC1)NCCCl)CCCl
- InChIKey
- HOMGKSMUEGBAAB-UHFFFAOYSA-N
- InChI
- 1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)
- Synonyms
- Ifosfamide [USAN:USP:INN:BAN:JAN] | Ifosfamidum (INN-Latin) | NCGC00016639-01 | Prestwick3_000833 | IFEX (TN) | Ifosf...
- ITH 12575CAS: 1802013-08-6 Formula: C18H18ClNOS Molecular Weight: 331.86● In Stock — US Item #: I287169View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-chloro-5-(2-propan-2-ylphenyl)-1,5-dihydro-4,1-benzothiazepin-2-one
- SMILES
- CC(C)C1=CC=CC=C1C2C3=C(C=CC(=C3)Cl)NC(=O)CS2
- InChIKey
- RDMUJSJZBYAAEF-UHFFFAOYSA-N
- InChI
- 1S/C18H18ClNOS/c1-11(2)13-5-3-4-6-14(13)18-15-9-12(19)7-8-16(15)20-17(21)10-22-18/h3-9,11,18H,10H2,1-2H3,(H,20,21)
- Synonyms
- 7-Chloro-1,5-dihydro-5-[2-(1-methylethyl)phenyl]-4,1-benzothiazepin-2(3H)-one
- Sorafenib Tosylate, Vascular endothelial growth factor receptor inhibitorCAS: 475207-59-1 EC Number: 641-758-8 PubChem CID: 406563 Formula: C21H16ClF3N4O3·C7H8O3S Molecular Weight: 637.03● In Stock — US Item #: S129593View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-methylbenzenesulfonic acid
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
- InChIKey
- IVDHYUQIDRJSTI-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- CAS-475207-59-1 | methoprene-(s) | orafenib tosylate | SR-01000597705 | SW202562-3 | 4-{4-[3-(4-Cl-3-trifluoromethyl-...
- Ki16198CAS: 355025-13-7 Formula: C24H25ClN2O5S Molecular Weight: 488.98● In Stock — US Item #: K129869View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoate
- SMILES
- CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)CSCCC(=O)OC
- InChIKey
- HHVJBROTJWPHHX-UHFFFAOYSA-N
- InChI
- 1S/C24H25ClN2O5S/c1-15-22(26-24(29)31-16(2)19-6-4-5-7-20(19)25)23(32-27-15)18-10-8-17(9-11-18)14-33-13-12-21(28)30-3/h4-11,16H,12-14H2,1-3H3,(H,26,29)
- Synonyms
- Propanoic acid, 3-[[[4-[4-[[[1-(2-chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazolyl]phenyl]methyl]thio]-, met...
- Remacemide hydrochlorideCAS: 111686-79-4 EC Number: 689-003-1 PubChem CID: 60510 Formula: C17H20N2O•HCl Molecular Weight: 304.82◐ .Made to order · 8–12 wks Item #: R288193View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;hydrochloride
- SMILES
- CC(CC1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)CN.Cl
- InChIKey
- HYQMIUSWZXGTCC-UHFFFAOYSA-N
- InChI
- 1S/C17H20N2O.ClH/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;/h2-11H,12-13,18H2,1H3,(H,19,20);1H
- Synonyms
- REMACEMIDE HYDROCHLORIDE | 2-amino-N-(1,2-diphenylpropan-2-yl)acetamide hydrochloride | CCG-101055 | FT-0710086 | Rem...
- Sophocarpine● In Stock — US Item #: S275846View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
- SMILES
- C1CC2CN3C(CC=CC3=O)C4C2N(C1)CCC4
- InChIKey
- AAGFPTSOPGCENQ-JLNYLFASSA-N
- InChI
- 1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-/m0/s1
- Synonyms
- 13,14-Didehydromatrine | AKOS016843687 | DTXSID90215126 | Sophocarpine (monohydrate) | (41S,7aS,13aR,13bR)-2,3,41,6,7...
- GpCp (GMPCP)CAS: 32381-15-0◐ .Made to order · 8–12 wks Item #: G275524View ProductPricing & Pack Sizes
Technical Identifiers
- IWP 4◐ .Made to order · 8–12 wks Item #: I287229View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
- SMILES
- CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5OC)SCC4
- InChIKey
- RHUJMHOIQBDFQR-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 2-{[3-(2-methoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)ace...
- Sotalol hydrochloride, Beta-2 adrenergic receptor antagonistCAS: 959-24-0 EC Number: 213-496-0 PubChem CID: 66245 Formula: C12H20N2O3S.HCl Molecular Weight: 308.82Solid 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 #: S276463View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride
- SMILES
- CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl
- InChIKey
- VIDRYROWYFWGSY-UHFFFAOYSA-N
- InChI
- 1S/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H
- Synonyms
- CAS-959-24-0 | Pharmakon1600-01506043 | Sotalol hydrochloride 100 microg/mL in Acetonitrile | SOTYLIZE COMPONENT SOTA...
- Solasodine● In Stock — US Item #: S125251View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol
- SMILES
- CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1
- InChIKey
- KWVISVAMQJWJSZ-VKROHFNGSA-N
- InChI
- show more
- Synonyms
- MLS001164064 | Spirosol-5-en-3-ol, (3beta,22alpha,25R)- | Purapuridine | SR-01000814832-4 | UNII-L40Y453Y96 | Prestwi...
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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.