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
- Potassium tetrakis(pentafluorophenyl)borateSolid ≥97%● In Stock — US Item #: P304843View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- potassium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
- SMILES
- [B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.[K+]
- InChIKey
- GYBHRIJOPWTIKA-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- E76344 | Potassium tetrakis(perfluorophenyl)borate | Tetrakis-(pentafluorophenyl)-potassium borate | SCHEMBL134248 | ...
- Ac-L-Tyr-OMeCAS: 2440-79-1 Formula: C12H15NO4 Molecular Weight: 237.25● In Stock — US Item #: A354593View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate
- SMILES
- CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC
- InChIKey
- KRMVXLWZDYZILN-NSHDSACASA-N
- InChI
- 1S/C12H15NO4/c1-8(14)13-11(12(16)17-2)7-9-3-5-10(15)6-4-9/h3-6,11,15H,7H2,1-2H3,(H,13,14)/t11-/m0/s1
- Ac-L-Val-NH2CAS: 37933-88-3 Formula: C7H14N2O2 Molecular Weight: 158.20● In Stock — US Item #: A354415View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-acetamido-3-methylbutanamide
- SMILES
- CC(C)C(C(=O)N)NC(=O)C
- InChIKey
- WEHJKQHCMGQEEF-LURJTMIESA-N
- InChI
- 1S/C7H14N2O2/c1-4(2)6(7(8)11)9-5(3)10/h4,6H,1-3H3,(H2,8,11)(H,9,10)/t6-/m0/s1
- DPPE fumarate● In Stock — US Item #: D286652View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-benzylphenoxy)-N,N-diethylethanamine;(E)-but-2-enedioic acid
- SMILES
- CCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2.C(=CC(=O)O)C(=O)O
- InChIKey
- ZOOMDYHTGZSGDD-WLHGVMLRSA-N
- InChI
- 1S/C19H25NO.C4H4O4/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17;5-3(6)1-2-4(7)8/h5-13H,3-4,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
- Synonyms
- N,N-Diethyl-2-[4-(phenylmethyl)phenoxy]ethanamine fumarate | 2-(4-benzylphenoxy)-N,N-diethylethanamine fumarate
- DPPI 1c hydrochloride◐ .Made to order · 8–12 wks Item #: D275611View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,5R)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]acetyl]pyrrolidine-2,5-dicarbonitrile;hydrochloride
- SMILES
- C1CCC(C1)(CO)NCC(=O)N2C(CCC2C#N)C#N.Cl
- InChIKey
- RHCWAHDCHQTNBR-IWKKHLOMSA-N
- InChI
- 1S/C14H20N4O2.ClH/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14;/h11-12,17,19H,1-6,9-10H2;1H/t11-,12+;
- Synonyms
- (2R,5S)-rel-1-[2-[[1-(Hydroxymethyl)cyclopentyl]amino]acetyl]-2,5-pyrrolidinedicarbonitrile,hydrochloride
- AC 264613CAS: 1051487-82-1 Formula: C19H18BrN3O2 Molecular Weight: 400.27● In Stock — US Item #: A288347View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3R,4S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
- SMILES
- CC(=NNC(=O)C1C(CNC1=O)C2=CC=CC=C2)C3=CC(=CC=C3)Br
- InChIKey
- RQKXQCSEZPQBNZ-CBCLUANDSA-N
- InChI
- show more
- Synonyms
- 3-Pyrrolidinecarboxylic acid, 2-oxo-4-phenyl-, 2-(1-(3-bromophenyl)ethylidene)hydrazide, (3R,4S)-rel- | A13184 | (3R,...
- Etofylline● In Stock — US Item #: B134484View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
- SMILES
- CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO
- InChIKey
- NWPRCRWQMGIBOT-UHFFFAOYSA-N
- InChI
- 1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3
- Synonyms
- Etofillina [DCIT] | HMS3370P21 | s5029 | Spectrum_000319 | BSPBio_000063 | Hydroxyethyltheophylline | 7-(2-hydroxyeth...
- MorronisideCAS: 25406-64-8 Formula: C17H26O11 Molecular Weight: 406.38Solid 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 Item #: M303231View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1C2C(CC(O1)O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC
- InChIKey
- YTZSBJLNMIQROD-SFBCHFHNSA-N
- InChI
- show more
- Synonyms
- CCG-268714 | C17000 | DTXSID60948257 | s5465 | Methyl 8-(hexopyranosyloxy)-3-hydroxy-1-methyl-4,4a,8,8a-tetrahydro-1H...
- DMP 543CAS: 160588-45-4 Formula: C26H18F2N2O Molecular Weight: 412.44● In Stock — US Item #: D288728View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 10,10-bis[(2-fluoropyridin-4-yl)methyl]anthracen-9-one
- SMILES
- C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CC4=CC(=NC=C4)F)CC5=CC(=NC=C5)F
- InChIKey
- MUJBUUDUXGDXLW-UHFFFAOYSA-N
- InChI
- 1S/C26H18F2N2O/c27-23-13-17(9-11-29-23)15-26(16-18-10-12-30-24(28)14-18)21-7-3-1-5-19(21)25(31)20-6-2-4-8-22(20)26/h1-14H,15-16H2
- Synonyms
- FT-0643556 | AC-28096 | BRD-K89274813-001-01-5 | NSC116211 | 9(10H)-Anthracenone, 10,10-bis[(2-fluoro-4-pyridinyl)met...
- DMPQ dihydrochloride● In Stock — US Item #: D276030View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride
- SMILES
- COC1=CC2=C(C=C(C=N2)C3=CC=NC=C3)C(=C1)OC.Cl.Cl
- InChIKey
- YBBAOKYVJCNJIV-UHFFFAOYSA-N
- InChI
- 1S/C16H14N2O2.2ClH/c1-19-13-8-15-14(16(9-13)20-2)7-12(10-18-15)11-3-5-17-6-4-11;;/h3-10H,1-2H3;2*1H
- Synonyms
- 5,7-Dimethoxy-3-(4-pyridinyl)quinoline dihydrochloride | 5,7-Dimethoxy-3-(4-pyridinyl)quinolinedihydrochloride
- Ac-L-Val-OMeCAS: 1492-15-5 Formula: C8H15NO3 Molecular Weight: 173.21● In Stock — US Item #: A354601View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl (2S)-2-acetamido-3-methylbutanoate
- SMILES
- CC(C)C(C(=O)OC)NC(=O)C
- InChIKey
- KCHNPFJMSOGXIT-ZETCQYMHSA-N
- InChI
- 1S/C8H15NO3/c1-5(2)7(8(11)12-4)9-6(3)10/h5,7H,1-4H3,(H,9,10)/t7-/m0/s1
- Synonyms
- MFCD00080847 | N-alpha-Actetyl-L-valine methyl ester (Ac-L-Val-OMe) | Methyl N-acetyl-L-valinate | acetyl l-valine me...
- Ac-Phe-Tyr-NH2● In Stock — US Item #: A354434View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-acetamido-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide
- SMILES
- CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N
- InChIKey
- NRNUHNDVXOFSJO-ROUUACIJSA-N
- InChI
- show more
- Synonyms
- MFCD00020202 | (S)-2-acetamido-N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-3-phenylpropanamide | N-ACETYL-L-...
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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.