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).
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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
102,634Explore 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)
19,701Find 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
- DL-Lysine AcetylsalicylateCAS: 62952-06-1 Formula: C15H22N2O6 Molecular Weight: 326.34● In Stock — US Item #: D304205View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-acetyloxybenzoic acid;2,6-diaminohexanoic acid
- SMILES
- CC(=O)OC1=CC=CC=C1C(=O)O.C(CCN)CC(C(=O)O)N
- InChIKey
- JJBCTCGUOQYZHK-UHFFFAOYSA-N
- InChI
- 1S/C9H8O4.C6H14N2O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4-2-1-3-5(8)6(9)10/h2-5H,1H3,(H,11,12);5H,1-4,7-8H2,(H,9,10)
- Synonyms
- AKOS025402349 | Aspidol | Asl | DL-Lysine acetylsalicylate | SCHEMBL25877 | Aspegic | Aspirisine | Vetalgine | Egical...
- PSI-6130CAS: 817204-33-4 Formula: C10H14FN3O4 Molecular Weight: 259.23Solid ≥98%● In Stock — US Item #: P127387View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
- SMILES
- CC1(C(C(OC1N2C=CC(=NC2=O)N)CO)O)F
- InChIKey
- NYPIRLYMDJMKGW-VPCXQMTMSA-N
- InChI
- 1S/C10H14FN3O4/c1-10(11)7(16)5(4-15)18-8(10)14-3-2-6(12)13-9(14)17/h2-3,5,7-8,15-16H,4H2,1H3,(H2,12,13,17)/t5-,7-,8-,10-/m1/s1
- Synonyms
- 2'-deoxy-2'-fluoro-2'-C-methylcytidine | PSI 6130 | 1-((2R,3R,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyltet...
- Aluminium hydroxybis[2,2'-methylen-bis(4,6-di-tert-butylphenyl)phosphate]CAS: 151841-65-5 EC Number: 430-650-4 PubChem CID: 16686081 Formula: C58H85AlO9P2 Molecular Weight: 1015.22AR ? Analytical Reagent grade — high-purity chemicals meeting strict assay limits for lab analysis. Use when accuracy matters and trace impurities could skew results.◐ .Made to order · 8–12 wks Item #: A302968View ProductPricing & Pack Sizes
Technical Identifiers
- SMILES
- show more
- InChIKey
- MUBYBLSNBCQXCW-UHFFFAOYSA-L
- InChI
- show more
- Synonyms
- 151841-65-5|ADKStabNA21E|Aluminium hydroxybis[2,2'-methylen-bis(4,6-di-tert-butylphenyl)phosphate]|Aluminiumhydroxybi...
- DL-Malic acid disodium salt monohydrateCAS: 207511-06-6 EC Number: 626-550-7 PubChem CID: 16211643 Formula: C4H4O5Na2 • H2O Molecular Weight: 196.07Solid BioReagent ? BioReagent grade — tested suitable for life-science and molecular-biology use. Use for cell culture, assays, and biochemical work needing biological compatibility.● In Stock — US Item #: D302750View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- disodium;(2S)-2-hydroxybutanedioate;hydrate
- SMILES
- C(C(C(=O)[O-])O)C(=O)[O-].O.[Na+].[Na+]
- InChIKey
- JHLALIGYBAKQQI-SQGDDOFFSA-L
- InChI
- 1S/C4H6O5.2Na.H2O/c5-2(4(8)9)1-3(6)7;;;/h2,5H,1H2,(H,6,7)(H,8,9);;;1H2/q;2*+1;/p-2/t2-;;;/m0.../s1
- Synonyms
- Disodium;(2S)-2-hydroxybutanedioate;hydrate|207511-06-6|L-Malic acid disodium salt monohydrate|DTXSID70583456|(S)-Sod...
- Diethyl 2,2'-dimethylbiphenyl-4,4'-dicarboxylateCAS: 855254-76-1 Formula: C20H22O4 Molecular Weight: 326.39● In Stock — US Item #: D304776View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 4-(4-ethoxycarbonyl-2-methylphenyl)-3-methylbenzoate
- SMILES
- CCOC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)OCC)C)C
- InChIKey
- NQAJKEFVVKYKNC-UHFFFAOYSA-N
- InChI
- 1S/C20H22O4/c1-5-23-19(21)15-7-9-17(13(3)11-15)18-10-8-16(12-14(18)4)20(22)24-6-2/h7-12H,5-6H2,1-4H3
- Synonyms
- AKOS026673835 | ethyl 4-(4-ethoxycarbonyl-2-methylphenyl)-3-methylbenzoate | Diethyl2,2'-dimethylbiphenyl-4,4'-dicarb...
- Atractyloside potassium saltSolid 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 #: A302089View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC(C)CC(=O)OC1C(C(C(OC1OC2CC(C3CCC45CC(CCC4C3(C2)C)C(=C)C5O)C(=O)O)CO)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+]
- InChIKey
- IUCNQFHEWLYECJ-VCQILIGCSA-L
- InChI
- show more
- Synonyms
- MFCD00078810 | Atractyloside (potassium salt) | Atractyloside potassium salt | HMS2097C16 | AC-34083 | [(2S,3R,4R,5R,...
- Diethylstilbestrol, mixture of cis and trans● In Stock — US Item #: D155457View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
- SMILES
- CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
- InChIKey
- RGLYKWWBQGJZGM-ISLYRVAYSA-N
- InChI
- 1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
- Synonyms
- 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | Diethylstilbesterol | Makarol | Stilbofolin | 4,4'-(Hex-3-ene-3,4-d...
- N-Boc-3-Aminophenylacetic acidSolid ≥98%◐ .Made to order · 8–12 wks Item #: B356482View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
- SMILES
- CC(C)(C)OC(=O)NC1=CC=CC(=C1)CC(=O)O
- InChIKey
- RGLDALVJLSFYMV-UHFFFAOYSA-N
- InChI
- 1S/C13H17NO4/c1-13(2,3)18-12(17)14-10-6-4-5-9(7-10)8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
- Synonyms
- N-Boc-3-aminophenylacetic Acid | 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic Acid | 3-[(tert-Butoxycarb...
- (R)-2-Amino-6-((tert-butoxycarbonyl)amino)hexanoic acidSolid ≥95%● In Stock — US Item #: H353163View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
- SMILES
- CC(C)(C)OC(=O)NCCCCC(C(=O)O)N
- InChIKey
- VVQIIIAZJXTLRE-MRVPVSSYSA-N
- InChI
- 1S/C11H22N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m1/s1
- Synonyms
- DS-15115 | (2R)-2-amino-6-{[(tert-butoxy)carbonyl]amino}hexanoic acid | (2R)-2-azaniumyl-6-[(2-methylpropan-2-yl)oxyc...
- O-tert-Butyl-D-serine methyl ester hydrochlorideCAS: 78537-14-1 Formula: C8H18ClNO3 Molecular Weight: 211.69● In Stock — US Item #: H352893View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride
- SMILES
- CC(C)(C)OCC(C(=O)OC)N.Cl
- InChIKey
- PCIABNBULSRKSU-FYZOBXCZSA-N
- InChI
- 1S/C8H17NO3.ClH/c1-8(2,3)12-5-6(9)7(10)11-4;/h6H,5,9H2,1-4H3;1H/t6-;/m1./s1
- Synonyms
- AKOS015845938 | methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride | AC-19238 | O-TERT-BUTYL-D-...
- Sulfamethoxazole sodiumCAS: 4563-84-2 EC Number: 224-939-2 PubChem CID: 15899900 Formula: C10H10N3O3S.Na Molecular Weight: 275.26● In Stock — US Item #: S303754View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;(4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
- SMILES
- CC1=CC(=NO1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+]
- InChIKey
- LARLNXOUTTUXPN-UHFFFAOYSA-N
- InChI
- 1S/C10H10N3O3S.Na/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3;/q-1;+1
- Synonyms
- PJ0X8H59AI | CCG-267199 | EINECS 224-939-2 | HY-B0322A | MFCD23115453 | Sodium sulfamethoxazole | UNII-PJ0X8H59AI | s...
- PF-2545920, Phosphodiesterase 10A inhibitorCAS: 1292799-56-4 Formula: C25H20N4O Molecular Weight: 392.45● In Stock — US Item #: P129667View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
- SMILES
- CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5
- InChIKey
- AZEXWHKOMMASPA-UHFFFAOYSA-N
- InChI
- 1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
- Synonyms
- AC-5395 | D11171 | MARDEPODECT [INN] | PF-2545920(MP-10) | ((11)C)MP-10 | HY-50098 | Quinoline, 2-((4-(1-methyl-4-(4-...
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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.
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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.