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
- 2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium TrifluoromethanesulfonateCAS: 1961266-44-3 EC Number: 834-690-7 PubChem CID: 132274857 Formula: C14H6F8O3S2 Molecular Weight: 438.31Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: D302677View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
- SMILES
- C1=CC2=C(C=C1F)C3=C([S+]2C(F)(F)F)C=CC(=C3)F.C(F)(F)(F)S(=O)(=O)[O-]
- InChIKey
- WLVWCXRDONBKDB-UHFFFAOYSA-M
- InChI
- 1S/C13H6F5S.CHF3O3S/c14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18;2-1(3,4)8(5,6)7/h1-6H;(H,5,6,7)/q+1;/p-1
- Synonyms
- Umemoto's Reagent II | 2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate | AS-74273 | U...
- 2,5-Diaminopyrimidin-4(3H)-oneCAS: 77994-12-8 Formula: C4H6N4O Molecular Weight: 126.12◐ .Made to order · 8–12 wks Item #: D304637View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,5-diamino-1H-pyrimidin-6-one
- SMILES
- C1=C(C(=O)NC(=N1)N)N
- InChIKey
- BUXQSBATTZNERM-UHFFFAOYSA-N
- InChI
- 1S/C4H6N4O/c5-2-1-7-4(6)8-3(2)9/h1H,5H2,(H3,6,7,8,9)
- 2,5-Dibromobenzene-1,4-diamine● In Stock — US warehouse, ships to EU* Item #: D303234View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,5-dibromobenzene-1,4-diamine
- SMILES
- C1=C(C(=CC(=C1Br)N)Br)N
- InChIKey
- MJFBGMMDLNKGNC-UHFFFAOYSA-N
- InChI
- 1S/C6H6Br2N2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,9-10H2
- Synonyms
- 2,5-dibromo-1,4-phenylenediamine | 1,4-Benzenediamine, 2,5-dibromo- | 1,4-Diamino-2,5-dibromobenzene | FT-0689454 | S...
- Mca-Pro-Leu-OHCAS: 140430-55-3 Formula: C23H28N2O7 Molecular Weight: 444.48Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%● In Stock — US warehouse, ships to EU* Item #: O356875View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-[[(2S)-1-[2-(7-methoxy-2-oxochromen-4-yl)acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
- SMILES
- CC(C)CC(C(=O)O)NC(=O)C1CCCN1C(=O)CC2=CC(=O)OC3=C2C=CC(=C3)OC
- InChIKey
- IWDXAGDGQBGZNX-ROUUACIJSA-N
- InChI
- show more
- Synonyms
- Mca-PL | MFCD00274434 | Mca-PL pound>>Matrix Metalloproteinase-2/Matrix Metalloproteinase-7 Fluorogenic Substrate Con...
- 2-(tert-Butyl)-5-hydroxycyclohexa-2,5-diene-1,4-dione◐ .Made to order · 8–12 wks Item #: B303798View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-tert-butyl-5-hydroxycyclohexa-3,5-diene-1,2-dione
- SMILES
- CC(C)(C)C1=CC(=O)C(=O)C=C1O
- InChIKey
- PUHREJGNFIKMHT-UHFFFAOYSA-N
- InChI
- 1S/C10H12O3/c1-10(2,3)6-4-8(12)9(13)5-7(6)11/h4-5,11H,1-3H3
- Synonyms
- D93495 | 2-TERT-BUTYL-5-HYDROXYCYCLOHEXA-2,5-DIENE-1,4-DIONE | 2,5-Cyclohexadiene-1,4-dione, 2-(1,1-dimethylethyl)-5-...
- 2,5-Dimethyl-1,4-benzenedicarbaldehydeSolid ≥98%● In Stock — US warehouse, ships to EU* Item #: D304447View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,5-dimethylterephthalaldehyde
- SMILES
- CC1=CC(=C(C=C1C=O)C)C=O
- InChIKey
- AIBJDPZNCNFKMR-UHFFFAOYSA-N
- InChI
- 1S/C10H10O2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-6H,1-2H3
- Synonyms
- AS-77559 | YSZC490 | 3,6-Dimethylterephthalaldehyde | AKOS003617034 | SCHEMBL2884919 | 2,5-DIMETHYLBENZENE-1,4-DICARB...
- 2,5-Diamino-1,4-benzenedicarbonitrileCAS: 75636-88-3 Formula: C8H6N4 Molecular Weight: 158.16◐ .Made to order · 8–12 wks Item #: D304562View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,5-diaminobenzene-1,4-dicarbonitrile
- SMILES
- C1=C(C(=CC(=C1N)C#N)N)C#N
- InChIKey
- DJVJDQRJKTVAEU-UHFFFAOYSA-N
- InChI
- 1S/C8H6N4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-2H,11-12H2
- Synonyms
- 2,5-diaminobenzene-1,4-dicarbonitrile | DTXSID50669287 | SCHEMBL6630371 | 1,4-Benzenedicarbonitrile, 2,5-diamino- | B...
- 2-Acetamido-4-fluoro-1,3,6-tri-O-acetyl-2,4-dideoxy-D-glucopyranose● In Stock — US warehouse, ships to EU* Item #: A345732View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-3-fluorooxan-2-yl]methyl acetate
- SMILES
- CC(=O)NC1C(C(C(OC1OC(=O)C)COC(=O)C)F)OC(=O)C
- InChIKey
- AUCRVLBGFFSCPW-LSGALXMHSA-N
- InChI
- 1S/C14H20FNO8/c1-6(17)16-12-13(22-8(3)19)11(15)10(5-21-7(2)18)24-14(12)23-9(4)20/h10-14H,5H2,1-4H3,(H,16,17)/t10-,11-,12-,13+,14?/m1/s1
- Synonyms
- AKOS025294128 | 2-Acetamido-4-fluoro-1,3,6-tri-O-acetyl-2,4-dideoxy-D-glucopyranose | AUCRVLBGFFSCPW-LSGALXMHSA-N | D...
- rac-Paroxetine-d4 Hydrochloride◐ .Made to order · 8–12 wks Item #: R340278View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(2,3,5,6-tetradeuterio-4-fluorophenyl)piperidine;hydrochloride
- SMILES
- FC(C([2H])=C1[2H])=C([2H])C([2H])=C1[C@H]2[C@H](COC3=CC=C(OCO4)C4=C3)CNCC2.Cl
- InChIKey
- GELRVIPPMNMYGS-TYPQLLAASA-N
- InChI
- show more
- Synonyms
- rel-Paroxetine-d4 hydrochloride | rel-BRL29060-d4 hydrochloride | rel-BRL29060A-d4
- 2-(2-Ethoxyphenoxy)EthanolCAS: 3250-73-5 Formula: C10H14O3 Molecular Weight: 182.22◐ .Made to order · 8–12 wks Item #: E303445View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(2-ethoxyphenoxy)ethanol
- SMILES
- CCOC1=CC=CC=C1OCCO
- InChIKey
- KOFVDOFNEZNSKF-UHFFFAOYSA-N
- InChI
- 1S/C10H14O3/c1-2-12-9-5-3-4-6-10(9)13-8-7-11/h3-6,11H,2,7-8H2,1H3
- Synonyms
- 2-(2-ethoxyphenoxy)ethanol | SCHEMBL4359196 | MFCD09675039 | Z425795634 | AKOS000295507 | W13452 | 2-(2-ethoxyphenoxy...
- 2-(4-bromophenyl)-1-(piperazin-1-yl)ethan-1-one TFA salt◐ .Made to order · 8–12 wks Item #: T305030View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-bromophenyl)-1-piperazin-1-ylethanone
- SMILES
- C1CN(CCN1)C(=O)CC2=CC=C(C=C2)Br
- InChIKey
- OCEWJIGTFAIWNC-UHFFFAOYSA-N
- InChI
- 1S/C12H15BrN2O/c13-11-3-1-10(2-4-11)9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2
- Synonyms
- 4-(Piperazinocarbonylmethyl)-1-bromobenzene | 2-(4-Bromophenyl)-1-(1-piperazinyl)ethanone | 2-(4-BROMOPHENYL)-1-(PIPE...
- 2-(4-bromophenyl)-2,2-difluoroacetic acidCAS: 913574-93-3 Formula: C8H5BrF2O2 Molecular Weight: 251.02◐ .Made to order · 8–12 wks Item #: B304960View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-bromophenyl)-2,2-difluoroacetic acid
- SMILES
- C1=CC(=CC=C1C(C(=O)O)(F)F)Br
- InChIKey
- ANGIHCJVNSDFOT-UHFFFAOYSA-N
- InChI
- 1S/C8H5BrF2O2/c9-6-3-1-5(2-4-6)8(10,11)7(12)13/h1-4H,(H,12,13)
- Synonyms
- 2-(4-bromophenyl)-2,2-difluoroacetic acid|913574-93-3|MFCD11167796|(4-Bromophenyl)(difluoro)acetic acid|SCHEMBL350247...
![2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Trifluoromethanesulfonate - ≥98% CAS No(1961266-44-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/D/3/D302677.png)
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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.