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
- 2-(4-Aminophenyl)benzo[d]thiazol-6-ol◐ Made to order · 8–12 wks Item #: A669099View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-aminophenyl)-1,3-benzothiazol-6-ol
- SMILES
- C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)O)N
- InChIKey
- KYQOWAHXMWGEJG-UHFFFAOYSA-N
- InChI
- 1S/C13H10N2OS/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(16)7-12(11)17-13/h1-7,16H,14H2
- Synonyms
- 6-OH-BTA-0|2-(4-Aminophenyl)benzo[d]thiazol-6-ol|2-(4-AMINOPHENYL)-1,3-BENZOTHIAZOL-6-OL|2-(4-Amino-phenyl)-benzothia...
- 2-(3-Pyridinyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]thiazoleCAS: 618063-16-4 Formula: C18H17N3O2S2 Molecular Weight: 371.5◐ Made to order · 8–12 wks Item #: P668592View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole
- SMILES
- C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)C4=CN=CC=C4
- InChIKey
- LNGCCBILHXCZLI-UHFFFAOYSA-N
- InChI
- 1S/C18H17N3O2S2/c22-25(23,21-10-1-2-11-21)16-7-5-14(6-8-16)17-13-24-18(20-17)15-4-3-9-19-12-15/h3-9,12-13H,1-2,10-11H2
- Synonyms
- 2-(3-pyridinyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]thiazole|2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-t...
- 2-(4-Pyridin-4-yl-1,3-thiazol-2-yl)ethanamine◐ Made to order · 8–12 wks Item #: P668982View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine
- SMILES
- C1=CN=CC=C1C2=CSC(=N2)CCN
- InChIKey
- ASGSTPZRHAOXCU-UHFFFAOYSA-N
- InChI
- 1S/C10H11N3S/c11-4-1-10-13-9(7-14-10)8-2-5-12-6-3-8/h2-3,5-7H,1,4,11H2
- Synonyms
- 2-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]ethan-1-amine|2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine
- 2-(5-Benzyloxy-2-methyl-1H-indol-3-yl)-ethylamine◐ Made to order · 8–12 wks Item #: B668336View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethanamine
- SMILES
- CC1=C(C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)CCN
- InChIKey
- GXWTUBXFAHMHIY-UHFFFAOYSA-N
- InChI
- 1S/C18H20N2O/c1-13-16(9-10-19)17-11-15(7-8-18(17)20-13)21-12-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12,19H2,1H3
- Synonyms
- 2-(5-Benzyloxy-2-methyl-1H-indol-3-yl)-ethylamine|2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethanamine|2-[5-(Benzylox...
- 2-(4-methylphenoxy)-N-[4-(2-oxazolo[4,5-b]pyridinyl)phenyl]acetamide◐ Made to order · 8–12 wks Item #: M668596View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
- SMILES
- CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC=N4
- InChIKey
- PZSJAZISEBOWAH-UHFFFAOYSA-N
- InChI
- 1S/C21H17N3O3/c1-14-4-10-17(11-5-14)26-13-19(25)23-16-8-6-15(7-9-16)21-24-20-18(27-21)3-2-12-22-20/h2-12H,13H2,1H3,(H,23,25)
- Synonyms
- 2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide|2-(4-methylphenoxy)-N-[4-(2-oxazolo[4,5-b]...
- 2-(4-Nitrophenyl)-4H-chromen-4-oneCAS: 19725-49-6 Formula: C15H9NO4 Molecular Weight: 267.24◐ Made to order · 8–12 wks Item #: N668338View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-nitrophenyl)chromen-4-one
- SMILES
- C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
- InChIKey
- CKSVYVHLZNMXLX-UHFFFAOYSA-N
- InChI
- 1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
- Synonyms
- 2-(4-Nitrophenyl)-4H-chromen-4-one|4'-Nitroflavone|4H-1-Benzopyran-4-one, 2-(4-nitrophenyl)-|2-(4-Nitro-phenyl)-chrom...
- 2-(4-Methylpiperazin-1-Yl)benzo[c][1,5]naphthyridin-6(5h)-OneCAS: 433726-76-2 Formula: C17H18N4O Molecular Weight: 294.35◐ Made to order · 8–12 wks Item #: M669003View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-methylpiperazin-1-yl)-5H-benzo[c][1,5]naphthyridin-6-one
- SMILES
- CN1CCN(CC1)C2=NC3=C(C=C2)NC(=O)C4=CC=CC=C43
- InChIKey
- YRVTWLAUEOBDFG-UHFFFAOYSA-N
- InChI
- 1S/C17H18N4O/c1-20-8-10-21(11-9-20)15-7-6-14-16(19-15)12-4-2-3-5-13(12)17(22)18-14/h2-7H,8-11H2,1H3,(H,18,22)
- Synonyms
- 2-(4-Methylpiperazin-1-Yl)benzo[c][1,5]naphthyridin-6(5h)-One|KR 33152|2-(4-methylpiperazin-1-yl)-5H-benzo[c][1,5]nap...
- 2-(4-methoxyphenyl)-1H-quinazolin-4-one◐ Made to order · 8–12 wks Item #: M669298View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-methoxyphenyl)-3H-quinazolin-4-one
- SMILES
- COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2
- InChIKey
- HETSSARHFAGODR-UHFFFAOYSA-N
- InChI
- 1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
- Synonyms
- 2-(4-methoxyphenyl)-1H-quinazolin-4-one|2-(4-methoxyphenyl)quinazolin-4(3H)-one|2-(4-methoxyphenyl)quinazolin-4-ol|2-...
- 2-(4-methoxyphenyl)-1H-perimidineCAS: 25110-46-7 Formula: C18H14N2O Molecular Weight: 274.3◐ Made to order · 8–12 wks Item #: M668813View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-methoxyphenyl)-1H-perimidine
- SMILES
- COC1=CC=C(C=C1)C2=NC3=CC=CC4=C3C(=CC=C4)N2
- InChIKey
- DMOIIYVOFOESDM-UHFFFAOYSA-N
- InChI
- 1S/C18H14N2O/c1-21-14-10-8-13(9-11-14)18-19-15-6-2-4-12-5-3-7-16(20-18)17(12)15/h2-11H,1H3,(H,19,20)
- Synonyms
- 2-(4-methoxyphenyl)-1H-perimidine|2-(4-Methoxy-phenyl)-1H-perimidine
- 2-(4-fluorophenyl)-1H-quinazolin-4-one◐ Made to order · 8–12 wks Item #: F669311View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-fluorophenyl)-3H-quinazolin-4-one
- SMILES
- C1=CC=C2C(=C1)C(=O)NC(=N2)C3=CC=C(C=C3)F
- InChIKey
- IXMXCFSRQIHRHB-UHFFFAOYSA-N
- InChI
- 1S/C14H9FN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
- Synonyms
- 2-(4-fluorophenyl)-1H-quinazolin-4-one|2-(4-Fluorophenyl)quinazolin-4(1H)-one|2-(4-FLUOROPHENYL)-3H-QUINAZOLIN-4-ONE|...
- 2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-oneCAS: 713086-29-4 Formula: C17H19N3O Molecular Weight: 281.35◐ Made to order · 8–12 wks Item #: E668781View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
- SMILES
- CCC1=CC=C(C=C1)NC2=NC=C3C(=N2)CC(CC3=O)C
- InChIKey
- VXCOZWHCCMPUAM-UHFFFAOYSA-N
- InChI
- 1S/C17H19N3O/c1-3-12-4-6-13(7-5-12)19-17-18-10-14-15(20-17)8-11(2)9-16(14)21/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,19,20)
- Synonyms
- 2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one|2-[(4-ethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5...
- 2-(3-Chloroanilino)-1-(4-chlorophenyl)ethanone◐ Made to order · 8–12 wks Item #: C668473View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone
- SMILES
- C1=CC(=CC(=C1)Cl)NCC(=O)C2=CC=C(C=C2)Cl
- InChIKey
- LUZPCLURXBMOQH-UHFFFAOYSA-N
- InChI
- 1S/C14H11Cl2NO/c15-11-6-4-10(5-7-11)14(18)9-17-13-3-1-2-12(16)8-13/h1-8,17H,9H2
- Synonyms
- 2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone|1-(4-chlorophenyl)-2-[(3-chlorophenyl)amino]ethanone|CHEMBRDG-BB 53766...
![2-(4-Aminophenyl)benzo[d]thiazol-6-ol - CAS No(178804-18-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/A/6/A669099.jpg)
![2-(3-Pyridinyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]thiazole - CAS No(618063-16-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/P/6/P668592.jpg)
![2-(4-methylphenoxy)-N-[4-(2-oxazolo[4,5-b]pyridinyl)phenyl]acetamide - CAS No(333774-00-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/M/6/M668596.jpg)
![2-(4-Methylpiperazin-1-Yl)benzo[c][1,5]naphthyridin-6(5h)-One - CAS No(433726-76-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/M/6/M669003.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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