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
24,642Navigate 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
102,635Explore 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)
19,700Find 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)
8,782Shop 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
- FosamprenavirCAS: 226700-79-4 Formula: C25H36N3O9PS Molecular Weight: 585.61● In Stock — US warehouse, ships to EU* Item #: F303124View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate
- SMILES
- CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)OP(=O)(O)O)S(=O)(=O)C3=CC=C(C=C3)N
- InChIKey
- MLBVMOWEQCZNCC-OEMFJLHTSA-N
- InChI
- show more
- Synonyms
- Amprenavir phosphate | Q1385311 | FOS-APV | MLBVMOWEQCZNCC-OEMFJLHTSA-N | 1257693-05-2 | D02497 | Medazepamum | GW-90...
- A 438079 hydrochlorideCAS: 899431-18-6 Formula: C13H9Cl2N5•HCl Molecular Weight: 342.61● In Stock — US warehouse, ships to EU* Item #: A287568View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine;hydrochloride
- SMILES
- C1=CC(=C(C(=C1)Cl)Cl)C2=NN=NN2CC3=CN=CC=C3.Cl
- InChIKey
- MBTJFFMIPPMRGR-UHFFFAOYSA-N
- InChI
- 1S/C13H9Cl2N5.ClH/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9;/h1-7H,8H2;1H
- Synonyms
- AKOS012956608 | AC-32751 | F17857 | ZKB43118 | CCG-267952 | HY-15488A | BCP34027 | ZKB50736 | 3-(5-(2,3-Dichloropheny...
- A 485CAS: 1889279-16-6 Formula: C25H24F4N4O5 Molecular Weight: 536.48Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)● In Stock — US warehouse, ships to EU* Item #: A287597View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CNC(NC1=CC=C2C(CC[C@]23C(N(CC(N(CC4=CC=C(F)C=C4)[C@@H](C)C(F)(F)F)=O)C(O3)=O)=O)=C1)=O
- InChIKey
- VRVJKILQRBSEAG-LFPIHBKWSA-N
- InChI
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- Synonyms
- (1R)-N-[(4-Fluorophenyl)methyl]-2,3-dihydro-5-[[(methylamino)carbonyl]amino]-2',4'-dioxo-N-[(1S)-2,2,2-trifluoro-1-me...
- ASP 9521CAS: 1126084-37-4 Formula: C19H26N2O3 Molecular Weight: 330.42● In Stock — US warehouse, ships to EU* Item #: A287985View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
- SMILES
- CC(C)(CC1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)OC)O
- InChIKey
- OXSCPDKUZWPWFR-UHFFFAOYSA-N
- InChI
- 1S/C19H26N2O3/c1-19(2,23)12-13-6-8-21(9-7-13)18(22)17-11-14-10-15(24-3)4-5-16(14)20-17/h4-5,10-11,13,20,23H,6-9,12H2,1-3H3
- Synonyms
- AA79G37CPR | BCP20729 | 1-{1-[(5-methoxy-1h-indol-2-yl)carbonyl] piperidin-4-yl}-2-methylpropan-2-ol | HY-19903 | [4-...
- Mifepristone, Progesterone receptor antagonistMoligand™ ? 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 warehouse, ships to EU* Item #: M126999View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
- SMILES
- CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
- InChIKey
- VKHAHZOOUSRJNA-GCNJZUOMSA-N
- InChI
- show more
- Synonyms
- RU486 | RU 38486 | 11β-[4-(Dimethylamino)phenyl]-17β-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one
- A 1899CAS: 498577-46-1 Formula: C30H26F2N2O3 Molecular Weight: 500.55● In Stock — US warehouse, ships to EU* Item #: A288648View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
- SMILES
- COC1=CC=C(C=C1)CC(=O)NCC2=CC=CC=C2C3=CC=CC=C3C(=O)NCC4=C(C=C(C=C4)F)F
- InChIKey
- IXKPEYHRIVQTCU-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- N-[(2,4-Difluorophenyl)methyl]-2'-[[[2-(4-methoxyphenyl)acetyl]amino]methyl][1,1'-biphenyl]-2-carboxamide | A1899 | S...
- THPN● In Stock — US warehouse, ships to EU* Item #: T288521View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(3,4,5-trihydroxyphenyl)nonan-1-one
- SMILES
- CCCCCCCCC(=O)C1=CC(=C(C(=C1)O)O)O
- InChIKey
- NVFRHTFJDGAFQS-UHFFFAOYSA-N
- InChI
- 1S/C15H22O4/c1-2-3-4-5-6-7-8-12(16)11-9-13(17)15(19)14(18)10-11/h9-10,17-19H,2-8H2,1H3
- Synonyms
- THPN, >=98% (HPLC) | 4jgv | HY-113827 | T94 | 1-(3,4,5-trihydroxyphenyl)-1-nonanone | 1-(3,4,5)-Trihydroxyphenyl)nona...
- Mibefradil dihydrochloride, Voltage-gated T-type calcium channel blockerCAS: 116666-63-8 EC Number: 848-218-2 PubChem CID: 60662 Formula: C29H38FN3O3 · 2HCl Molecular Weight: 568.56Moligand™ ? 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 warehouse, ships to EU* Item #: M275143View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F.Cl.Cl
- InChIKey
- MTJLQTFHJIHXIX-GDUXWEAWSA-N
- InChI
- show more
- Synonyms
- HY-15553A | Mibefradil hydrochloride | FD5011 | RO 40-5967/001 | MIBEFRADIL DIHYDROCHLORIDE [MI] | MIBEFRADIL HYDROCH...
- A 582941CAS: 848591-90-2 Formula: C17H20N4 Molecular Weight: 280.37● In Stock — US warehouse, ships to EU* Item #: A288772View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3aR,6aS)-2-methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
- SMILES
- CN1CC2CN(CC2C1)C3=NN=C(C=C3)C4=CC=CC=C4
- InChIKey
- GTMRUYCIJSNXGB-GASCZTMLSA-N
- InChI
- 1S/C17H20N4/c1-20-9-14-11-21(12-15(14)10-20)17-8-7-16(18-19-17)13-5-3-2-4-6-13/h2-8,14-15H,9-12H2,1H3/t14-,15+
- Synonyms
- (3aS,6aR)-2-methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole | a-582491 | Z1900765470 |...
- Orsellinic acidCAS: 480-64-8 Formula: C8H8O4 Molecular Weight: 168.15● In Stock — US warehouse, ships to EU* Item #: O329655View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,4-dihydroxy-6-methylbenzoic acid
- SMILES
- CC1=CC(=CC(=C1C(=O)O)O)O
- InChIKey
- AMKYESDOVDKZKV-UHFFFAOYSA-N
- InChI
- 1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)
- Synonyms
- 2,4-Dihydroxy-6-methylbenzoic acid | o-Orsellinic acid
- A 331440 dihydrochloride● In Stock — US warehouse, ships to EU* Item #: A288758View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]benzonitrile;dihydrochloride
- SMILES
- CN(C)C1CCN(C1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N.Cl.Cl
- InChIKey
- XFPYVTSGYYMTFS-GHVWMZMZSA-N
- InChI
- 1S/C22H27N3O.2ClH/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19;;/h4-11,21H,3,12-15,17H2,1-2H3;2*1H/t21-;;/m1../s1
- Synonyms
- 4'-[3-[(3R)-3-(Dimethylamino)-1-pyrrolidinyl]propoxy]-[1,1'-biphenyl]-4-carbonitrile dihydrochloride | (R)-4'-(3-(3-(...
- Fosphenytoin disodium, Sodium channel alpha subunit blockerCAS: 92134-98-0 Formula: C16H17N2Na2O7P Molecular Weight: 426.27● In Stock — US warehouse, ships to EU* Item #: F335292View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- disodium;(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl phosphate
- SMILES
- C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)([O-])[O-])C3=CC=CC=C3.[Na+].[Na+]
- InChIKey
- GQPXYJNXTAFDLT-UHFFFAOYSA-L
- InChI
- 1S/C16H15N2O6P.2Na/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23;;/h1-10H,11H2,(H,17,20)(H2,21,22,23);;/q;2*+1/p-2
- Synonyms
- Fosphenytoin sodium (USP) | ACC-9653-010 | FOSPHENYTOIN SODIUM [USP IMPURITY] | BCP13859 | Fosphenytoin sodium | FOSP...
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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.