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
- Leupeptin trifluoroacetate saltCAS: 147385-61-3 PubChem CID: 44120072 Formula: C20H38N6O4·xC2HF3O2 Molecular Weight: 426.55 (free base basis)● In Stock — US Item #: L332045View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C.C(=O)(C(F)(F)F)O
- InChIKey
- WUHGBZVQELGOMH-FRKSIBALSA-N
- InChI
- show more
- Synonyms
- Acetyl-Leu-Leu-Arg-al TFA
- Levomilnacipran hydrochloride, Norepinephrine transporter inhibitorCAS: 175131-60-9 Formula: C15H23ClN2O Molecular Weight: 282.81● In Stock — US Item #: L174987View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;hydrochloride
- SMILES
- CCN(CC)C(=O)C1(CC1CN)C2=CC=CC=C2.Cl
- InChIKey
- XNCDYJFPRPDERF-NQQJLSKUSA-N
- InChI
- 1S/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m0./s1
- Synonyms
- (1S-cis)-Milnacipran Hydrochloride | A899431 | Midalcipran hydrochloride | 371U2ZK31U | F 2695 hydrochloride | F-2695...
- Zimelidine dihydrochloride, Serotonin (5-HT) receptor antagonistCAS: 61129-30-4 Formula: C16H17BrN2 · 2HCl Molecular Weight: 390.15Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%◐ .Made to order · 8–12 wks Item #: Z337892View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrate;dihydrochloride
- SMILES
- CN(C)CC=C(C1=CC=C(C=C1)Br)C2=CN=CC=C2.O.Cl.Cl
- InChIKey
- WFUAVXYXJOQWAZ-GVKRCPFFSA-N
- InChI
- 1S/C16H17BrN2.2ClH.H2O/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13;;;/h3-10,12H,11H2,1-2H3;2*1H;1H2/b16-9-;;;
- Synonyms
- Zimeldine hydrochloride hydrate | (Z)-3-(4-Bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine dihydrochloride...
- G-1● In Stock — US Item #: G287210View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone
- SMILES
- CC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC5=C(C=C4Br)OCO5
- InChIKey
- VHSVKVWHYFBIFJ-UHFFFAOYSA-N
- InChI
- 1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3
- Synonyms
- 1-[4-(6-Bromo-2H-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one | 1-[(3aR,4S,9b...
- Zinc hexafluorosilicate hexahydrateCAS: 18433-42-6 EC Number: 689-379-7 PubChem CID: 57370815 Formula: ZnSiF6•6H2O Molecular Weight: 315.54● In Stock — US Item #: Z305255View ProductPricing & Pack Sizes
Technical Identifiers
- Benzyl glycinateCAS: 1738-68-7 Formula: C9H12ClNO2 Molecular Weight: 165.19◐ .Made to order · 8–12 wks Item #: G305177View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- benzyl 2-aminoacetate
- SMILES
- C1=CC=C(C=C1)COC(=O)CN
- InChIKey
- JXYACYYPACQCDM-UHFFFAOYSA-N
- InChI
- 1S/C9H11NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7,10H2
- Synonyms
- 1738-68-7|benzyl 2-aminoacetate|Glycine, phenylmethyl ester|Glycine benzyl ester|Benzyl glycinate|Amino-acetic acid b...
- NSC 405020CAS: 7497-07-6 Formula: C12H15Cl2NO Molecular Weight: 260.16● In Stock — US Item #: N129358View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,4-dichloro-N-pentan-2-ylbenzamide
- SMILES
- CCCC(C)NC(=O)C1=CC(=C(C=C1)Cl)Cl
- InChIKey
- ARDYECYBETXQFD-UHFFFAOYSA-N
- InChI
- 1S/C12H15Cl2NO/c1-3-4-8(2)15-12(16)9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3,(H,15,16)
- Synonyms
- DS-10698 | BCP08049 | 3,4-Dichloro-N-(2-pentanyl)benzamide | CCG-267051 | EX-A190 | NSC405020 | NSC-405020 | FT-07219...
- ZD 7155 hydrochlorideCAS: 146709-78-6 Formula: C₂₆H₂₆N₆O.HCl Molecular Weight: 474.99Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%◐ .Made to order · 8–12 wks Item #: Z288671View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5,7-diethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydro-1,6-naphthyridin-2-one;hydrochloride
- SMILES
- CCC1=CC2=C(CCC(=O)N2CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=N1)CC.Cl
- InChIKey
- NAGGAAHTUXEGFG-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 1,6-Naphthyridin-2(1H)-one,5,7-diethyl-3,4-dihydro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-,hydrochlori...
- ZD7288● In Stock — US Item #: Z274826View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-ethyl-1,2-dimethyl-6-methylimino-N-phenylpyrimidin-4-amine;hydrochloride
- SMILES
- CCN(C1=CC=CC=C1)C2=CC(=NC)N(C(=N2)C)C.Cl
- InChIKey
- DUWKUHWHTPRMAP-UHFFFAOYSA-N
- InChI
- 1S/C15H20N4.ClH/c1-5-19(13-9-7-6-8-10-13)15-11-14(16-3)18(4)12(2)17-15;/h6-11H,5H2,1-4H3;1H
- Synonyms
- BZ162628 | HB1152 | N-Ethyl-1,6-dihydro-1,2-dimethyl-6-(methylimino)-N-phenyl-4-pyrimidinamine monohydrochloride | ZD...
- Levofloxacin hemihydrateCAS: 138199-71-0 EC Number: 604-067-2 PubChem CID: 3033924 Formula: C18H20FN3O4 · 0.5H2O Molecular Weight: 370.38● In Stock — US Item #: L190773View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrate
- SMILES
- CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.O
- InChIKey
- SUIQUYDRLGGZOL-RCWTXCDDSA-N
- InChI
- show more
- Synonyms
- EN300-20644132 | Levofloxacin (USP) | 6GNT3Y5LMF | Levofloxacin Hemihydrate, Pharmaceutical Secondary Standard; Certi...
- N-tert-Butyl-α-phenylnitrone (PBN)Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%● In Stock — US Item #: B100838View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-tert-butyl-1-phenylmethanimine oxide
- SMILES
- CC(C)(C)[N+](=CC1=CC=CC=C1)[O-]
- InChIKey
- IYSYLWYGCWTJSG-XFXZXTDPSA-N
- InChI
- 1S/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9-
- Synonyms
- PBN | Phenyl-N-tert-butylnitrone | F0001-0991 | 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide, (N(Z))- | N-te...
- ZD2079 hydrochlorideCAS: 178600-17-4 EC Number: 685-384-3 PubChem CID: 158793 Formula: C18H22ClNO4 Molecular Weight: 351.83◐ .Made to order · 8–12 wks Item #: Z287109View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid;hydrochloride
- SMILES
- C1=CC=C(C=C1)C(CNCCOC2=CC=C(C=C2)CC(=O)O)O.Cl
- InChIKey
- KCEFVYIWOQSJCH-LMOVPXPDSA-N
- InChI
- 1S/C18H21NO4.ClH/c20-17(15-4-2-1-3-5-15)13-19-10-11-23-16-8-6-14(7-9-16)12-18(21)22;/h1-9,17,19-20H,10-13H2,(H,21,22);1H/t17-;/m0./s1
- Synonyms
- HMS3413I07 | ICID2079 | ICID-2079 | Talibegron HCl | 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]aceti...
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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.