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).
Targets & Pathways
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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 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 to assemble or screen PROTAC designs, with clear identifiers for efficient selection.
By Signaling Pathways
102,620Explore 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 —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
- p-Coumaric Acid Ethyl EsterCAS: 7362-39-2 Formula: C11H12O3 Molecular Weight: 192.21● In Stock — US Item #: E304519View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
- SMILES
- CCOC(=O)C=CC1=CC=C(C=C1)O
- InChIKey
- ZOQCEVXVQCPESC-VMPITWQZSA-N
- InChI
- 1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3/b8-5+
- Synonyms
- MS-2009 | ethyl (E)-p-hydroxycinnamate | Ethyl trans-4-hydroxycinnamateEthyl (E)-p-hydroxycinnamate | 2-Propenoic aci...
- 1,3,4,6-Tetra-O-acetyl-N-azidoacetylglucosamineCAS: 98924-81-3 Formula: C16H22N4O10 Molecular Weight: 430.37● In Stock — US Item #: N355747View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(2R,3S,4R,5R)-3,4,6-triacetyloxy-5-[(2-azidoacetyl)amino]oxan-2-yl]methyl acetate
- SMILES
- CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC(=O)CN=[N+]=[N-])OC(=O)C)OC(=O)C
- InChIKey
- HGMISDAXLUIXKM-ALTVCHKUSA-N
- InChI
- show more
- Synonyms
- GlcNaz | 2-[(2-Azidoacetyl)amino]-2-deoxy-D-glucopyranose 1,3,4,6-Tetraacetate | N-Azidoacetylglucosamine-tetraacylat...
- 5,7-Dichlorokynurenic acid sodium salt◐ .Made to order · 8–12 wks Item #: D275523View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 5,7-Dichloro-4-hydroxyquinoline-2-carboxylicacidsodiumsalt
- 10-DeacetyltaxolSolid ≥98%● In Stock — US Item #: D276061View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O
- InChIKey
- TYLVGQKNNUHXIP-MHHARFCSSA-N
- InChI
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- Synonyms
- (2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(benzenecarbonyl)amino]-2-hydroxy-3-phenylp...
- 10-HydroxycamptothecinSolid ≥98%● In Stock — US Item #: H304266View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
- SMILES
- CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O
- InChIKey
- HAWSQZCWOQZXHI-UHFFFAOYSA-N
- InChI
- 1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3
- Synonyms
- (+/-)-10-HCPT | Hydroxy camptothecine | STL565783 | 10-Hydroxyl-20(S)-Camptothecin | Neuro_000051 | 10-Hydroxycamptot...
- 10H-Phenothiazine-10-propanesulfonic acid sodium saltCAS: 101199-38-6 Formula: C15H14NNaO3S2 Molecular Weight: 343.4Solid ≥98%● In Stock — US Item #: H358860View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;3-phenothiazin-10-ylpropane-1-sulfonate
- SMILES
- C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCS(=O)(=O)[O-].[Na+]
- InChIKey
- VKGYKXFNSKEHED-UHFFFAOYSA-M
- InChI
- 1S/C15H15NO3S2.Na/c17-21(18,19)11-5-10-16-12-6-1-3-8-14(12)20-15-9-4-2-7-13(15)16;/h1-4,6-9H,5,10-11H2,(H,17,18,19);/q;+1/p-1
- Synonyms
- C15H14NNaO3S2 | MFCD08275674 | Pharmakon1600-01300036 | J-504141 | PTZ-343 sodiumPTZ343 | sodiumphenothiazine-10-yl-p...
- NFAT Inhibitor◐ .Made to order · 8–12 wks Item #: N287938View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
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- InChIKey
- QPMHUXBSHGAVGD-MCDIZDEASA-N
- InChI
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- Synonyms
- VIVIT peptide
- 5-n-Hexylthio-1,3,4-thiadiazole-2-thiolCAS: 4858-28-0 Formula: C8H14N2S3 Molecular Weight: 234.41● In Stock — US Item #: N341760View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-hexylsulfanyl-3H-1,3,4-thiadiazole-2-thione
- SMILES
- CCCCCCSC1=NNC(=S)S1
- InChIKey
- PXZAXJQJAWDCKS-UHFFFAOYSA-N
- InChI
- 1S/C8H14N2S3/c1-2-3-4-5-6-12-8-10-9-7(11)13-8/h2-6H2,1H3,(H,9,11)
- Synonyms
- 5-n-hexylthio-1,3,4-thiadiazole-2-thiol | AKOS025117162 | 2-(Hexylthio)-1,3,4-thiadiazole-5-thiol | 2-N-HEXYLTHIO-1,3...
- Astressin 2B◐ .Made to order · 8–12 wks Item #: A287468View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
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- InChIKey
- IVIBPRHVUKMKSX-XJYAKNQHSA-N
- InChI
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- Synonyms
- astressin-2B | Cyclo(31-34)(Phe(11),His(12),CMeLeu(13,39),Nle(17),Glu(31),Lys(34)) Ac-sauvagine (8-40) | cyclo(31-34)...
- (S)-(-)-2-(Phenylcarbamoyloxy)propionic acid◐ .Made to order · 8–12 wks Item #: S302098View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-(phenylcarbamoyloxy)propanoic acid
- SMILES
- CC(C(=O)O)OC(=O)NC1=CC=CC=C1
- InChIKey
- HYIHYWQSOXTJFS-ZETCQYMHSA-N
- InChI
- 1S/C10H11NO4/c1-7(9(12)13)15-10(14)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)(H,12,13)/t7-/m0/s1
- Synonyms
- (S)-(-)-2-(Phenylaminocarbonyloxy)propionic acid, (S)-(-)-Carbamalactic acid, (S)-PACOPA | BP-12913 | SCHEMBL1032817 ...
- 17-β-ESTRADIOL 3,17-DIPROPIONATECAS: 113-38-2 Formula: C24H32O4 Molecular Weight: 384.52● In Stock — US Item #: E302228View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(8R,9S,13S,14S,17S)-13-methyl-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
- SMILES
- CCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)CC)C
- InChIKey
- JQIYNMYZKRGDFK-RUFWAXPRSA-N
- InChI
- show more
- Synonyms
- (17.beta.)-Estra-1,3,5(10)-triene-3,17-diol 3,17-dipropionate | Agofollin | CHEBI:31560 | (17beta)-estra-1(10),2,4-tr...
- 10-[1,1'-Biphenyl]-4-yl-2-(1-methylethyl)-9-oxo-9H-thioxanthenium hexafluorophosphateCAS: 591773-92-1 EC Number: 611-808-3 PubChem CID: 11857386 Formula: C28H23F6OPS Molecular Weight: 552.511● In Stock — US Item #: B304081View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 10-(4-phenylphenyl)-2-propan-2-ylthioxanthen-10-ium-9-one;hexafluorophosphate
- SMILES
- CC(C)C1=CC2=C(C=C1)[S+](C3=CC=CC=C3C2=O)C4=CC=C(C=C4)C5=CC=CC=C5.F[P-](F)(F)(F)(F)F
- InChIKey
- UHKYZKDZFIFLBK-UHFFFAOYSA-N
- InChI
- 1S/C28H23OS.F6P/c1-19(2)22-14-17-27-25(18-22)28(29)24-10-6-7-11-26(24)30(27)23-15-12-21(13-16-23)20-8-4-3-5-9-20;1-7(2,3,4,5)6/h3-19H,1-2H3;/q+1;-1
- Synonyms
- 591773-92-1|9H-Thioxanthenium, 10-[1,1'-biphenyl]-4-yl-2-(1-methylethyl)-9-oxo-, hexafluorophosphate(1-) (1:1)|10-(4-...
![10-[1,1'-Biphenyl]-4-yl-2-(1-methylethyl)-9-oxo-9H-thioxanthenium hexafluorophosphate - ≥95% CAS No(591773-92-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/B/3/B304081.png)
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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.