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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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
- Urea, N'-(2,4-difluorophenyl)-N-((4-(2,2-dimethylpropyl)phenyl)methyl)-N-heptyl-CAS: 96224-26-9 EC Number: 110-416-5 PubChem CID: 125893 Formula: C26H36F2N2O Molecular Weight: 430.6◐ Made to order · 8–12 wks Item #: U668045View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(2,4-difluorophenyl)-1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-1-heptylurea
- SMILES
- CCCCCCCN(CC1=CC=C(C=C1)CC(C)(C)C)C(=O)NC2=C(C=C(C=C2)F)F
- InChIKey
- QKJLDOBXDUVGEE-UHFFFAOYSA-N
- InChI
- 1S/C26H36F2N2O/c1-5-6-7-8-9-16-30(25(31)29-24-15-14-22(27)17-23(24)28)19-21-12-10-20(11-13-21)18-26(2,3)4/h10-15,17H,5-9,16,18-19H2,1-4H3,(H,29,31)
- Synonyms
- CL-277082|CL 277082|Urea, N'-(2,4-difluorophenyl)-N-((4-(2,2-dimethylpropyl)phenyl)methyl)-N-heptyl-|Ddpmhu|3-(2,4-di...
- Valpin◐ Made to order · 8–12 wks Item #: V668361View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate
- SMILES
- CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C
- InChIKey
- XGGHHHBGPSNXFE-XYPWUTKMSA-N
- InChI
- 1S/C17H32NO2/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4/h13-16H,5-12H2,1-4H3/q+1/t14-,15+,16?
- Synonyms
- Octatropine|Methyl anisotropinium|Octatropine methylbromide|METHYL OCTATROPINIUM|N-METHYLANISOTROPINIUM|METHYL OCTATR...
- Vapitadine dihydrochloride, Histamine H1 receptor antagonist◐ Made to order · 8–12 wks Item #: V669019View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- spiro[5,6-dihydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride
- SMILES
- C1CN2C(=CN=C2C3(CCNCC3)C4=CC=CC=C41)C(=O)N.Cl.Cl
- InChIKey
- BOYLPLUVCXUHDJ-UHFFFAOYSA-N
- InChI
- 1S/C17H20N4O.2ClH/c18-15(22)14-11-20-16-17(6-8-19-9-7-17)13-4-2-1-3-12(13)5-10-21(14)16;;/h1-4,11,19H,5-10H2,(H2,18,22);2*1H
- Synonyms
- Vapitadine dihydrochloride|Vapitadine dihydrochloride [USAN]|R129160|Hivenyl; R 129160|Vapitadine (Dihydrochloride)|R...
- VorozoleCAS: 118949-22-7 Formula: C16H13ClN6 Molecular Weight: 324.77◐ Made to order · 8–12 wks Item #: V667922View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole
- SMILES
- CN1C2=C(C=CC(=C2)C(C3=CC=C(C=C3)Cl)N4C=NC=N4)N=N1
- InChIKey
- XLMPPFTZALNBFS-UHFFFAOYSA-N
- InChI
- 1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3
- Synonyms
- Vorozole|R-76713|(+)-Vorozole|R 83842;Rivizor|6-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole|1...
- [(6-Methylthieno[2,3-d]pyrimidin-4-yl)thio]acetic acid◐ Made to order · 8–12 wks Item #: M668875View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
- SMILES
- CC1=CC2=C(S1)N=CN=C2SCC(=O)O
- InChIKey
- UADAVIOFIOBDAS-UHFFFAOYSA-N
- InChI
- 1S/C9H8N2O2S2/c1-5-2-6-8(14-3-7(12)13)10-4-11-9(6)15-5/h2,4H,3H2,1H3,(H,12,13)
- Synonyms
- [(6-methylthieno[2,3-d]pyrimidin-4-yl)thio]acetic acid|2-((6-Methylthieno[2,3-d]pyrimidin-4-yl)thio)acetic acid|2-(6-...
- [1,1'-Biphenyl]-4-sulfonamideCAS: 4371-23-7 EC Number: 841-174-5 PubChem CID: 5017140 Formula: C12H11NO2S Molecular Weight: 233.29◐ Made to order · 8–12 wks Item #: B668884View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-phenylbenzenesulfonamide
- SMILES
- C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N
- InChIKey
- JVFCCRJSBNUDDU-UHFFFAOYSA-N
- InChI
- 1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
- Synonyms
- [1,1'-Biphenyl]-4-sulfonamide|4-phenylbenzenesulfonamide|4-phenylbenzene-1-sulfonamide|4-(Phenyl)-Benzenesulfonamide|...
- [(E)-4-Methyl-5-Oxidanyl-Pent-3-Enyl]-Phosphonooxy-Phosphinic AcidFormula: C6H14O7P2 Molecular Weight: 260.12◐ Made to order · 8–12 wks Item #: M669036View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(E)-5-hydroxy-4-methylpent-3-enyl]-phosphonooxyphosphinic acid
- SMILES
- CC(=CCCP(=O)(O)OP(=O)(O)O)CO
- InChIKey
- YYYUHBYKZCBOPY-ZZXKWVIFSA-N
- InChI
- 1S/C6H14O7P2/c1-6(5-7)3-2-4-14(8,9)13-15(10,11)12/h3,7H,2,4-5H2,1H3,(H,8,9)(H2,10,11,12)/b6-3+
- Synonyms
- [(E)-4-Methyl-5-Oxidanyl-Pent-3-Enyl]-Phosphonooxy-Phosphinic Acid|(E)-C-HDMAPP|(E)-1-Hydroxy-2-methylbut-2-enyl 4-di...
- [1-Hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid)CAS: 104261-69-0 Formula: C8H13NO7P2 Molecular Weight: 297.14◐ Made to order · 8–12 wks Item #: H668055View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1-hydroxy-1-phosphono-3-pyridin-3-ylpropyl)phosphonic acid
- SMILES
- C1=CC(=CN=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O
- InChIKey
- ILROXFQHACCDLA-UHFFFAOYSA-N
- InChI
- 1S/C8H13NO7P2/c10-8(17(11,12)13,18(14,15)16)4-3-7-2-1-5-9-6-7/h1-2,5-6,10H,3-4H2,(H2,11,12,13)(H2,14,15,16)
- Synonyms
- Homorisedronate|NE 58051|NE-58051|[1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid)|Phosphonic acid, (...
- [1-Phenyl-2-(phenylsulfonyl)vinyl]benzeneFormula: C20H16O2S Molecular Weight: 320.4◐ Made to order · 8–12 wks Item #: P668535View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [2-(benzenesulfonyl)-1-phenylethenyl]benzene
- SMILES
- C1=CC=C(C=C1)C(=CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3
- InChIKey
- JGHGEBHNSZDBKF-UHFFFAOYSA-N
- InChI
- 1S/C20H16O2S/c21-23(22,19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H
- Synonyms
- [1-phenyl-2-(phenylsulfonyl)vinyl]benzene|[2-(benzenesulfonyl)-1-phenylethenyl]benzene|(2-besyl-1-phenyl-vinyl)benzen...
- [1-(2-Phenoxyethyl)-3-indolyl]-(1-pyrrolidinyl)methanethioneFormula: C21H22N2OS Molecular Weight: 350.5◐ Made to order · 8–12 wks Item #: P668622View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [1-(2-phenoxyethyl)indol-3-yl]-pyrrolidin-1-ylmethanethione
- SMILES
- C1CCN(C1)C(=S)C2=CN(C3=CC=CC=C32)CCOC4=CC=CC=C4
- InChIKey
- CLLDGZJVIZEVBU-UHFFFAOYSA-N
- InChI
- 1S/C21H22N2OS/c25-21(22-12-6-7-13-22)19-16-23(20-11-5-4-10-18(19)20)14-15-24-17-8-2-1-3-9-17/h1-5,8-11,16H,6-7,12-15H2
- Synonyms
- [1-(2-phenoxyethyl)-3-indolyl]-(1-pyrrolidinyl)methanethione|[1-(2-phenoxyethyl)indol-3-yl]-pyrrolidin-1-ylmethanethi...
- [2-(1H-imidazol-1-yl)pyridin-4-yl]methanamineCAS: 953731-28-7 EC Number: 895-391-5 PubChem CID: 16782615 Formula: C9H10N4 Molecular Weight: 174.2◐ Made to order · 8–12 wks Item #: H669212View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2-imidazol-1-ylpyridin-4-yl)methanamine
- SMILES
- C1=CN=C(C=C1CN)N2C=CN=C2
- InChIKey
- DQTSFNDKOUQLGP-UHFFFAOYSA-N
- InChI
- 1S/C9H10N4/c10-6-8-1-2-12-9(5-8)13-4-3-11-7-13/h1-5,7H,6,10H2
- Synonyms
- [2-(1H-imidazol-1-yl)pyridin-4-yl]methanamine|[2-(1H-Imidazol-1-yl)pyridin-4-yl]methylamine|(2-imidazol-1-ylpyridin-4...
- [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanoneFormula: C15H18N8O2 Molecular Weight: 342.36◐ Made to order · 8–12 wks Item #: A669204View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone
- SMILES
- CCN1C2=C(C=NC=C2C(=O)N3CCC(C3)N)N=C1C4=NON=C4N
- InChIKey
- PHWHNHYZZNJPLB-QMMMGPOBSA-N
- InChI
- 1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1
- Synonyms
- SB-772077B|SB-7720770B
![[(6-Methylthieno[2,3-d]pyrimidin-4-yl)thio]acetic acid - CAS No(890014-20-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/M/6/M668875.jpg)
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![[(E)-4-Methyl-5-Oxidanyl-Pent-3-Enyl]-Phosphonooxy-Phosphinic Acid - CAS No(M669036) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/M/6/M669036.jpg)
![[1-Hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid) - CAS No(104261-69-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/H/6/H668055.jpg)
![[1-Phenyl-2-(phenylsulfonyl)vinyl]benzene - CAS No(P668535) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/P/6/P668535.jpg)
![[1-(2-Phenoxyethyl)-3-indolyl]-(1-pyrrolidinyl)methanethione - CAS No(P668622) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/P/6/P668622.jpg)
![[2-(1H-imidazol-1-yl)pyridin-4-yl]methanamine - CAS No(953731-28-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/H/6/H669212.jpg)
![[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone - CAS No(A669204) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/A/6/A669204.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.
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.
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