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
24,639Navigate 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
2,815PROTAC 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
102,615Explore 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)
19,694Find 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
- NifekalantCAS: 130636-43-0 Formula: C19H27N5O5 Molecular Weight: 405.45● In Stock — US warehouse, ships to EU* Item #: N667813View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
- SMILES
- CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO
- InChIKey
- OEBPANQZQGQPHF-UHFFFAOYSA-N
- InChI
- 1S/C19H27N5O5/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29/h5-8,14,20,25H,3-4,9-13H2,1-2H3
- Synonyms
- nifekalant|Nifekalant [INN]|6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2...
- PRX-07034 free base◐ Made to order · 8–12 wks Item #: P669150View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[1-(5-chloro-2,3-dimethoxyphenyl)ethyl]-2-methylsulfonyl-5-piperazin-1-ylaniline
- SMILES
- CC(C1=C(C(=CC(=C1)Cl)OC)OC)NC2=C(C=CC(=C2)N3CCNCC3)S(=O)(=O)C
- InChIKey
- BSLXKMCHXRCBIH-UHFFFAOYSA-N
- InChI
- 1S/C21H28ClN3O4S/c1-14(17-11-15(22)12-19(28-2)21(17)29-3)24-18-13-16(25-9-7-23-8-10-25)5-6-20(18)30(4,26)27/h5-6,11-14,23-24H,7-10H2,1-4H3
- Synonyms
- PRX-07034 free base|N-(1-(5-Chloro-2,3-dimethoxyphenyl)ethyl)-2-methylsulfonyl-5-piperazin-1-ylaniline|N-[1-(5-chloro...
- Pentanamide, N-(3-(1-(2-(8-chloro-5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-4-piperidinyl)propyl)-N-ethyl-2,2-dimethyl-◐ Made to order · 8–12 wks Item #: P668070View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[3-[1-[2-(8-chloro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]piperidin-4-yl]propyl]-N-ethyl-2,2-dimethylpentanamide
- SMILES
- CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC1)CC(=O)N2C3=C(C=C(C=C3)Cl)C(=O)NC4=C2N=CC=C4
- InChIKey
- LUPAFPUKESJDMZ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Bibn 99|Bibn-99|Pentanamide, N-(3-(1-(2-(8-chloro-5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoe...
- PentoliniumCAS: 144-44-5 Formula: C15H32N2⁺2 Molecular Weight: 240.43◐ Made to order · 8–12 wks Item #: P667827View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium
- SMILES
- C[N+]1(CCCC1)CCCCC[N+]2(CCCC2)C
- InChIKey
- XSBSKEQEUFOSDD-UHFFFAOYSA-N
- InChI
- 1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2
- Synonyms
- Pentolinium|Pentolonium|Pentolonum|pentolineum|pentolinium ion|Pentolinium cation|1-methyl-1-[5-(1-methylpyrrolidin-1...
- Phenamazoline◐ Made to order · 8–12 wks Item #: P668803View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
- SMILES
- C1CN=C(N1)CNC2=CC=CC=C2
- InChIKey
- FPZTYKLEJPXTKD-UHFFFAOYSA-N
- InChI
- 1S/C10H13N3/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5,13H,6-8H2,(H,11,12)
- Synonyms
- Phenamazoline|Phenamazoline [INN]|N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline|n-[(4,5-dihydro-1h-imidazol-2-yl)meth...
- Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis-◐ Made to order · 8–12 wks Item #: P668200View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[6-[(2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
- SMILES
- C1=CC=C(C(=C1)C=NCCCCCCN=CC2=CC=CC=C2O)O
- InChIKey
- DXVHKINVBJRBGQ-UHFFFAOYSA-N
- InChI
- 1S/C20H24N2O2/c23-19-11-5-3-9-17(19)15-21-13-7-1-2-8-14-22-16-18-10-4-6-12-20(18)24/h3-6,9-12,15-16,23-24H,1-2,7-8,13-14H2
- Synonyms
- N,N'-Bis(salicylidene)-1,6-hexanediamine|Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis-|n,n-bis(salicyliden...
- Phenylalanylphenylalanylamide◐ Made to order · 8–12 wks Item #: P667988View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
- SMILES
- C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)N)N
- InChIKey
- XXPXQEQOAZMUDD-HOTGVXAUSA-N
- InChI
- 1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)/t15-,16-/m0/s1
- Synonyms
- Phenylalanylphenylalanylamide|H-Phe-Phe-NH2|L-Phenylalaninamide, L-phenylalanyl-|Phe-phe-amide|(S)-2-amino-N-((S)-1-a...
- Philanthotoxin-74Formula: C24H42N4O3 Molecular Weight: 434.6◐ Made to order · 8–12 wks Item #: P669071View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(2S)-1-[7-(4-aminobutylamino)heptylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide
- SMILES
- CCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCCCCCNCCCCN
- InChIKey
- YKCMCIWNASWOOP-QFIPXVFZSA-N
- InChI
- show more
- Synonyms
- Philanthotoxin-74|(S)-N-(1-(7-(4-aminobutylamino)heptylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)butyramide
- Phosphothiophosphoric acid-adenylate ester◐ Made to order · 8–12 wks Item #: P668282View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphinothioyl hydrogen phosphate
- SMILES
- C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
- InChIKey
- NLTUCYMLOPLUHL-KQYNXXCUSA-N
- InChI
- show more
- Synonyms
- gamma-Thio-ATP|(gamma-S)ATP|ATP-gammaS|ATP-gamma-S|phosphothiophosphoric acid-adenylate ester|ATPgammaS|Adenosine 5'-...
- PseudoisocyanineCAS: 20766-49-8 Formula: C23H23N2⁺ Molecular Weight: 327.4◐ Made to order · 8–12 wks Item #: P668941View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline
- SMILES
- CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41
- InChIKey
- AGJZCWVTGOVGBS-UHFFFAOYSA-N
- InChI
- 1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1
- Synonyms
- Pseudoisocyanine|1,1'-Diethyl-2,2'-cyanine|(2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline|1-Ethyl-...
- Psb 11 hydrochlorideFormula: C16H17N5O Molecular Weight: 295.34◐ Made to order · 8–12 wks Item #: P669299View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (8R)-8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
- SMILES
- CCC1CN2C(=C3C(=NC(=N3)C4=CC=CC=C4)N(C2=O)C)N1
- InChIKey
- XNWDEMWJNJVCBD-LLVKDONJSA-N
- InChI
- 1S/C16H17N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11,17H,3,9H2,1-2H3/t11-/m1/s1
- Synonyms
- PSB-11|PSB 11 HYDROCHLORIDE|(8R)-8-ethyl-4-methyl-2-phenyl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one|(r)-4-methyl-8-et...
- Propanedinitrile, 2-[1-[2-[[[5-(1-piperidinylmethyl)-2-furanyl]methyl]amino]ethyl]-2-imidazolidinylidene]-CAS: 135017-30-0 Formula: C19H26N6O Molecular Weight: 354.4◐ Made to order · 8–12 wks Item #: P668062View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[1-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
- SMILES
- C1CCN(CC1)CC2=CC=C(O2)CNCCN3CCNC3=C(C#N)C#N
- InChIKey
- OKPXRTAMAGECKK-UHFFFAOYSA-N
- InChI
- 1S/C19H26N6O/c20-12-16(13-21)19-23-7-11-25(19)10-6-22-14-17-4-5-18(26-17)15-24-8-2-1-3-9-24/h4-5,22-23H,1-3,6-11,14-15H2
- Synonyms
- Propanedinitrile, 2-[1-[2-[[[5-(1-piperidinylmethyl)-2-furanyl]methyl]amino]ethyl]-2-imidazolidinylidene]-|Propanedin...
![Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis- - CAS No(4081-35-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/P/6/P668200.jpg)
![Propanedinitrile, 2-[1-[2-[[[5-(1-piperidinylmethyl)-2-furanyl]methyl]amino]ethyl]-2-imidazolidinylidene]- - CAS No(135017-30-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/P/6/P668062.jpg)
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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.
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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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