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
- 3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-oneFormula: C22H27N3O Molecular Weight: 349.5◐ Made to order · 8–12 wks Item #: D669014View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
- SMILES
- CC1=C(C=C(C=C1)N2CCN(CC2)CCC3C4=CC=CC=C4C(=O)N3)C
- InChIKey
- WQEPZBNLBWDIRZ-UHFFFAOYSA-N
- InChI
- 1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)
- Synonyms
- PD 168568|1H-Isoindol-1-one, 3-[2-[4-(3,4-dimethylphenyl)-1-piperazinyl]ethyl]-2,3-dihydro-|3-{2-[4-(3,4-Dimethyl-phe...
- 4-(4-bromophenyl)-1H-1,2,3-triazoleCAS: 5301-98-4 Formula: C8H6BrN3 Molecular Weight: 224.06◐ Made to order · 8–12 wks Item #: B668962View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-bromophenyl)-2H-triazole
- SMILES
- C1=CC(=CC=C1C2=NNN=C2)Br
- InChIKey
- RYKZCPFWGNDOQV-UHFFFAOYSA-N
- InChI
- 1S/C8H6BrN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
- Synonyms
- 4-(4-bromophenyl)-1H-1,2,3-triazole|MetAP2-IN-1|5-(4-bromophenyl)-1H-1,2,3-triazole|1H-1,2,3-Triazole, 4-(4-bromophen...
- 4-[[(6-Hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide◐ Made to order · 8–12 wks Item #: H668057View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide
- SMILES
- CC1=C(C(=C(C2=C1N=C(S2)NCC3=CC=C(C=C3)S(=O)(=O)N)C)O)C
- InChIKey
- IKIAJUVGDUYASS-UHFFFAOYSA-N
- InChI
- 1S/C17H19N3O3S2/c1-9-10(2)15(21)11(3)16-14(9)20-17(24-16)19-8-12-4-6-13(7-5-12)25(18,22)23/h4-7,21H,8H2,1-3H3,(H,19,20)(H2,18,22,23)
- Synonyms
- Asthma relating compound 1|4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide|4-(((...
- Benzeneacetamide, N-((4'-hydroxy(1,1'-biphenyl)-3-yl)methyl)-3-(2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-methylpropyl)-, Beta-2 adrenergic receptor agonist◐ Made to order · 8–12 wks Item #: B669147View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-methylpropyl]phenyl]-N-[[3-(4-hydroxyphenyl)phenyl]methyl]acetamide
- SMILES
- CC(C)(CC1=CC=CC(=C1)CC(=O)NCC2=CC(=CC=C2)C3=CC=C(C=C3)O)NCC(C4=CC(=C(C=C4)O)NS(=O)(=O)C)O
- InChIKey
- YPHDIMUXXABSSO-YTTGMZPUSA-N
- InChI
- show more
- Synonyms
- PF-00610355|PF-610355|Benzeneacetamide, N-((4'-hydroxy(1,1'-biphenyl)-3-yl)methyl)-3-(2-(((2R)-2-hydroxy-2-(4-hydroxy...
- Eperisone◐ Made to order · 8–12 wks Item #: E667792View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
- SMILES
- CCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2
- InChIKey
- SQUNAWUMZGQQJD-UHFFFAOYSA-N
- InChI
- 1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3
- Synonyms
- eperisone|1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one|Eperisone [INN]|4'-Ethyl-2-methyl-3-piperidinopro...
- Ethanol, 2-[2-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]ethoxy]-Formula: C21H28N2O3 Molecular Weight: 356.5◐ Made to order · 8–12 wks Item #: E669156View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol
- SMILES
- C1CN(CCN1CCOCCO)CC2=CC(=CC=C2)OC3=CC=CC=C3
- InChIKey
- SHDFUNGIHDOLQM-UHFFFAOYSA-N
- InChI
- 1S/C21H28N2O3/c24-14-16-25-15-13-22-9-11-23(12-10-22)18-19-5-4-8-21(17-19)26-20-6-2-1-3-7-20/h1-8,17,24H,9-16,18H2
- Synonyms
- ZK 756326|Ethanol, 2-[2-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]ethoxy]-|ZK-756326|2-[2-[4-[(3-phenoxyphenyl)methy...
- Khk-IN-1◐ Made to order · 8–12 wks Item #: K669262View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 8-N-(cyclopropylmethyl)-4-N-(2-methylsulfanylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine
- SMILES
- CSC1=CC=CC=C1NC2=NC(=NC3=C2N=CN=C3NCC4CC4)N5CCNCC5
- InChIKey
- HFLMLZKGLUEWBU-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- KHK-IN-1|KHK-IN-8|N~8~-(Cyclopropylmethyl)-N~4~-[2-(Methylsulfanyl)phenyl]-2-(Piperazin-1-Yl)pyrimido[5,4-D]pyrimidin...
- Mesembrenone◐ Made to order · 8–12 wks Item #: M668152View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3aR,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,7,7a-tetrahydroindol-6-one
- SMILES
- CN1CCC2(C1CC(=O)C=C2)C3=CC(=C(C=C3)OC)OC
- InChIKey
- HDNHBCSWFYFPAN-IRXDYDNUSA-N
- InChI
- 1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1
- Synonyms
- Mesembrenone|(+)-Mesembrenone|Mesembrenone, (+)-|(3aR,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,7,7a-tetrahydroindol...
- Metaphit◐ Made to order · 8–12 wks Item #: M668020View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidine
- SMILES
- C1CCC(CC1)(C2=CC(=CC=C2)N=C=S)N3CCCCC3
- InChIKey
- FGSGBQAQSPSRJK-UHFFFAOYSA-N
- InChI
- 1S/C18H24N2S/c21-15-19-17-9-7-8-16(14-17)18(10-3-1-4-11-18)20-12-5-2-6-13-20/h7-9,14H,1-6,10-13H2
- Synonyms
- Metaphit|1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine|1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidine|Piperi...
- Naxagolide◐ Made to order · 8–12 wks Item #: N667917View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-9-ol
- SMILES
- CCCN1CCOC2C1CCC3=C2C=C(C=C3)O
- InChIKey
- JCSREICEMHWFAY-HUUCEWRRSA-N
- InChI
- 1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
- Synonyms
- NAXAGOLIDE|dopazinol|Nazagolide|PHNO|Naxagolida|Naxagolide [INN]|(+)-PHNO|Naxagolidum|(+)-4-Propyl-9-hydroxynaphthoxa...
- 2-(4-(2-Amino-2-oxoethoxy)-1-benzyl-2-ethyl-1H-indol-3-yl)-2-oxoacetamide◐ Made to order · 8–12 wks Item #: A669111View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide
- SMILES
- CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)N)C(=O)C(=O)N
- InChIKey
- HJPAGOZVVSAGKR-UHFFFAOYSA-N
- InChI
- 1S/C21H21N3O4/c1-2-14-19(20(26)21(23)27)18-15(9-6-10-16(18)28-12-17(22)25)24(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,25)(H2,23,27)
- Synonyms
- 2-(4-(2-Amino-2-oxoethoxy)-1-benzyl-2-ethyl-1H-indol-3-yl)-2-oxoacetamide|hnps-PLA Inhibitor|hnps-PLA-IN-1|MDK-8582Hn...
- 2-Nitrophenanthrene-9,10-dione◐ Made to order · 8–12 wks Item #: N667998View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-nitrophenanthrene-9,10-dione
- SMILES
- C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O
- InChIKey
- KNAXWOBOCVVMST-UHFFFAOYSA-N
- InChI
- 1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H
- Synonyms
- 2-nitrophenanthrene-9,10-dione|2-Nitrophenanthraquinone|2-Nitro-9,10-phenanthrenedione|9,10-Phenanthrenedione, 2-nitr...
![3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one - CAS No(D669014) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/D/6/D669014.jpg)
![4-[[(6-Hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide - CAS No(120165-51-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/H/6/H668057.jpg)
![Ethanol, 2-[2-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]ethoxy]- - CAS No(E669156) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/E/6/E669156.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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