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
24,635Navigate 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 (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
102,621Explore 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
- CP 93129 dihydrochloride● In Stock — US warehouse, ships to EU* Item #: C287389View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;dihydrochloride
- SMILES
- C1CNCC=C1C2=CNC3=C2NC(=O)C=C3.Cl.Cl
- InChIKey
- FLVJHUZZKVJQNH-UHFFFAOYSA-N
- InChI
- 1S/C12H13N3O.2ClH/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8;;/h1-3,7,13-14H,4-6H2,(H,15,16);2*1H
- Synonyms
- SR-01000597935-1 | 3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;dihydrochloride | CP 931...
- CY 208-243CAS: 100999-26-6 Formula: C19H18N2 Molecular Weight: 274.36◐ .Made to order · 8–12 wks Item #: C286833View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,11R)-10-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene
- SMILES
- CN1CC2=CC=CC=C2C3C1CC4=CNC5=CC=CC3=C45
- InChIKey
- WRNKIDLXXXIELU-IEBWSBKVSA-N
- InChI
- 1S/C19H18N2/c1-21-11-12-5-2-3-6-14(12)19-15-7-4-8-16-18(15)13(10-20-16)9-17(19)21/h2-8,10,17,19-20H,9,11H2,1H3/t17-,19-/m1/s1
- Synonyms
- (-)-TRANS-4,6,6A,7,8,12B-HEXAHYDRO-7-METHYLINDOLO(4,3-AB)PHENANTHRIDINE | 4,6,6A,7,8,12B-HEXAHYDRO-7-METHYL-INDOLO(4,...
- CYM 50260CAS: 1355026-60-6 Formula: C14H11Cl3FNO2 Molecular Weight: 350.6● In Stock — US warehouse, ships to EU* Item #: C288779View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(fluoromethyl)pyridine
- SMILES
- C1=CC(=C(C=C1Cl)Cl)OCCOC2=C(N=C(C=C2)CF)Cl
- InChIKey
- FHPOTBQOUBMMCI-UHFFFAOYSA-N
- InChI
- 1S/C14H11Cl3FNO2/c15-9-1-3-12(11(16)7-9)20-5-6-21-13-4-2-10(8-18)19-14(13)17/h1-4,7H,5-6,8H2
- Synonyms
- UNII-SK574R8X7V | 3-[2-[2,4-bis(chloranyl)phenoxy]ethoxy]-2-chloranyl-6-(fluoranylmethyl)pyridine | HY-108494 | Pyrid...
- CYM 50358 hydrochlorideCAS: 1781750-72-8 Formula: C20H18Cl2N2O2.HCl Molecular Weight: 425.74● In Stock — US warehouse, ships to EU* Item #: C288790View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide;hydrochloride
- SMILES
- CC1=CC(=CC(=C1NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)C)CN.Cl
- InChIKey
- OFDSTJOMVDAKCS-UHFFFAOYSA-N
- InChI
- 1S/C20H18Cl2N2O2.ClH/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22;/h3-9H,10,23H2,1-2H3,(H,24,25);1H
- Synonyms
- N-[(4-(Aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)-2-furancarboxamide hydrochloride
- CYM 50769● In Stock — US warehouse, ships to EU* Item #: C288745View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one
- SMILES
- COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3C4=CC=CC=C4C5=CC=CC=C35)Cl
- InChIKey
- QHVSQUYCVUHYKT-UHFFFAOYSA-N
- InChI
- 1S/C24H17ClN2O3/c1-29-15-10-12-16(13-11-15)30-23-21(25)14-26-27(24(23)28)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-14,22H,1H3
- Synonyms
- CYM50769 | CYM-50769 | 5-Chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)-3(2H)-pyridazinone | 5-chloro-2-(9H-fluoren-...
- CVT-313, Inhibitor of cyclin dependent kinase 1;Inhibitor of cyclin dependent kinase 2CAS: 199986-75-9 Formula: C20H28N6O3 Molecular Weight: 400.47Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: C422433View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-hydroxyethyl-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]ethanol
- SMILES
- CC(C)N1C=NC2=C(N=C(N=C21)N(CCO)CCO)NCC3=CC=C(C=C3)OC
- InChIKey
- NQVIIUBWMBHLOZ-UHFFFAOYSA-N
- InChI
- 1S/C20H28N6O3/c1-14(2)26-13-22-17-18(21-12-15-4-6-16(29-3)7-5-15)23-20(24-19(17)26)25(8-10-27)9-11-28/h4-7,13-14,27-28H,8-12H2,1-3H3,(H,21,23,24)
- Synonyms
- T5490K8I7S | 2,2'-((9-Isopropyl-6-((4-methoxybenzyl)amino)-9H-purin-2-yl)azanediyl)diethanol | Cdk2 Inhibitor III | f...
- CW069● In Stock — US warehouse, ships to EU* Item #: C413741View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[(2S)-2-(benzylamino)-3-phenylpropanoyl]amino]-5-iodobenzoic acid
- SMILES
- C1=CC=C(C=C1)CC(C(=O)NC2=C(C=C(C=C2)I)C(=O)O)NCC3=CC=CC=C3
- InChIKey
- IRDIXDXDSUBHIU-NRFANRHFSA-N
- InChI
- show more
- Synonyms
- 2-[[(2S)-2-(benzylamino)-3-phenylpropanoyl]amino]-5-iodobenzoic acid | (S)-2-(2-(benzylamino)-3-phenylpropanamido)-5-...
- CW06910mM in DMSO● In Stock — US warehouse, ships to EU* Item #: C421907View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[(2S)-2-(benzylamino)-3-phenylpropanoyl]amino]-5-iodobenzoic acid
- SMILES
- C1=CC=C(C=C1)CC(C(=O)NC2=C(C=C(C=C2)I)C(=O)O)NCC3=CC=CC=C3
- InChIKey
- IRDIXDXDSUBHIU-NRFANRHFSA-N
- InChI
- show more
- Synonyms
- (S)-2-(2-(benzylamino)-3-phenylpropanamido)-5-iodobenzoic acid
- CX-5461CAS: 1138549-36-6 Formula: C27H27N7O2S Molecular Weight: 513.61● In Stock — US warehouse, ships to EU* Item #: C127663View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
- SMILES
- CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C
- InChIKey
- XGPBJCHFROADCK-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 1138549-36-6 | 2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]na...
- CX-5461CAS: 1138549-36-6 Formula: C27H27N7O2S Molecular Weight: 513.612mM in DMSO● In Stock — US warehouse, ships to EU* Item #: C420693View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
- SMILES
- CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C
- InChIKey
- XGPBJCHFROADCK-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 1138549-36-6 | 2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]na...
- CX-6258 HClCAS: 1353859-00-3 Formula: C26H24ClN3O3.HCl Molecular Weight: 498.410mM in DMSO● In Stock — US warehouse, ships to EU* Item #: C421345View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3E)-5-chloro-3-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one;hydrochloride
- SMILES
- CN1CCCN(CC1)C(=O)C2=CC=CC(=C2)C3=CC=C(O3)C=C4C5=C(C=CC(=C5)Cl)NC4=O.Cl
- InChIKey
- YYIMMVXTWBIEAG-YHLMHSEJSA-N
- InChI
- show more
- Synonyms
- (3E)-5-chloro-3-[[5-[3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)carbonyl]phenyl]-2-furanyl]methylene]-1,3-dihydro-2H...
- CY 09, Inhibitor of NLRP3CAS: 1073612-91-5 Formula: C19H12F3NO3S2 Molecular Weight: 423.43Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO◐ .Made to order · 8–12 wks Item #: C420525View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[[4-oxo-2-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
- SMILES
- C1=CC(=CC(=C1)C(F)(F)F)CN2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S
- InChIKey
- DJTINRHPPGAPLD-UHFFFAOYSA-N
- InChI
- 1S/C19H12F3NO3S2/c20-19(21,22)14-3-1-2-12(8-14)10-23-16(24)15(28-18(23)27)9-11-4-6-13(7-5-11)17(25)26/h1-9H,10H2,(H,25,26)
- Synonyms
- 4-[[4-Oxo-2-thioxo-3-[[3-(trifluoromethyl)phenyl]methyl]-5-thiazolidinylidene]methyl]benzoic acid;4-4-Oxo-2-thioxo-3-...
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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.