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
102,622Explore 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)
19,695Find 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 (where available)—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.
Popular Products
- N-[(4-Fluorophenyl)methyl]-1-methyl-4-piperidinamine● In Stock — US Item #: N303537View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine
- SMILES
- CN1CCC(CC1)NCC2=CC=C(C=C2)F
- InChIKey
- PLYWEOOWONUOBN-UHFFFAOYSA-N
- InChI
- 1S/C13H19FN2/c1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11/h2-5,13,15H,6-10H2,1H3
- Synonyms
- MFCD00979813 | Oprea1_331209 | N-(4-fluorobenzyl)-1-methylpiperidin-4-amine | A6255 | SY109154 | AKOS000239481 | 4-Pi...
- Pyrene azide 2◐ .Made to order · 8–12 wks Item #: P276025View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- N-[2-[2-(2-Azidoethoxy)ethoxy]ethyl]-2-(pyren-1-yl)acetamide
- Hexahydroadiphenine hydrochloride● In Stock — US Item #: D303961View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate;hydrochloride
- SMILES
- CCN(CC)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2.Cl
- InChIKey
- WIELVDXKOYPANK-UHFFFAOYSA-N
- InChI
- 1S/C20H31NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3;1H
- Synonyms
- 2-AMINO-2-P-TOLYLACETIC ACID | Cyclospasmol (tempelhof) | SCHEMBL446912 | 2-Chloropyridine-5-carbonitrile | Cyclospas...
- ISRIB (trans-isomer)CAS: 1597403-47-8 Formula: C22H24Cl2N2O4 Molecular Weight: 451.34● In Stock — US Item #: I275318View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-chlorophenoxy)-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]acetamide
- SMILES
- C1CC(CCC1NC(=O)COC2=CC=C(C=C2)Cl)NC(=O)COC3=CC=C(C=C3)Cl
- InChIKey
- HJGMCDHQPXTGAV-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- ISRIB | ISRIB trans-isomer | BCP23947 | ISRIB, >=98% (HPLC) | N,N'-(Cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)aceta...
- 5-Bromo-2-napthoicacidSolid ≥95%● In Stock — US Item #: B302075View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-bromonaphthalene-2-carboxylic acid
- SMILES
- C1=CC2=C(C=CC(=C2)C(=O)O)C(=C1)Br
- InChIKey
- QPOQPJDDJJNVRY-UHFFFAOYSA-N
- InChI
- 1S/C11H7BrO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-6H,(H,13,14)
- Synonyms
- 5-BROMO-2-NAPHTHALENECARBOXYLIC ACID | AKOS005067145 | Cinnamic acid, a-(b-hydroxystyryl)-, g-lactone | SY104513 | MF...
- Pyrene azide 1◐ .Made to order · 8–12 wks Item #: P276301View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- N-[2-[2-(2-Azidoethoxy)ethoxy]ethyl]pyrene-1-carboxamide
- AzaperoneSolid ≥99%● In Stock — US Item #: A129598View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
- SMILES
- C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3
- InChIKey
- XTKDAFGWCDAMPY-UHFFFAOYSA-N
- InChI
- 1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2
- Synonyms
- AZAPERONE [MART.] | AZAPERONE [USP IMPURITY] | HMS3652D15 | Azaperone 100 microg/mL in Acetonitrile | BSPBio_003566 |...
- Dovitinib (TKI-258) Dilactic AcidCAS: 852433-84-2 Formula: C21H21FN6O·2C3H6O3 Molecular Weight: 572.59● In Stock — US Item #: D129739View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one;2-hydroxypropanoic acid
- SMILES
- CC(C(=O)O)O.CC(C(=O)O)O.CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
- InChIKey
- XXLPVQZYQCGXOV-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- CHIR-258 Dilactic acid | Propanoic acid, 2-hydroxy-, compd. with 4-amino-5-fluoro-3-[6-(4-methyl-1-piperazinyl)-1H-be...
- Azatadine dimaleate, Histamine H1 receptor antagonistCAS: 3978-86-7 EC Number: 223-615-8 PubChem CID: 5281066 Formula: C20H22N2.2C4H4O4 Molecular Weight: 522.55Solid ≥98%● In Stock — US Item #: A129250View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
- SMILES
- CN1CCC(=C2C3=CC=CC=C3CCC4=C2N=CC=C4)CC1.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
- InChIKey
- SGHXFFAHXTZRQM-SPIKMXEPSA-N
- InChI
- show more
- Synonyms
- Optimine | AZATADINE MALEATE COMPONENT OF TRINALIN | UNII-F3Q391WTX7 | SCH10649 | SCH-10649 | AS-16886 | Optimine (TN...
- Droloxifene, Estrogen receptor modulator◐ .Made to order · 8–12 wks Item #: D275609View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
- SMILES
- CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC(=CC=C2)O)C3=CC=CC=C3
- InChIKey
- ZQZFYGIXNQKOAV-OCEACIFDSA-N
- InChI
- 1S/C26H29NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,28H,4,17-18H2,1-3H3/b26-25+
- Synonyms
- D03911 | FK-435 | MS-26418 | PHENOL, 3-1-4-2-(DIMETHYLAMINO)ETHOXYPHENYL-2-PHENYL-1-BUTENYL-, (E)- | Droloxifenum [La...
- AzaphenSolid ≥99%◐ .Made to order · 8–12 wks Item #: A125438View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine;dihydrochloride
- SMILES
- CN1CCN(CC1)C2=NN=C3C(=C2)N(C4=CC=CC=C4O3)C.Cl.Cl
- InChIKey
- ZZVWCKAYZSAUKR-UHFFFAOYSA-N
- InChI
- 1S/C16H19N5O.2ClH/c1-19-7-9-21(10-8-19)15-11-13-16(18-17-15)22-14-6-4-3-5-12(14)20(13)2;;/h3-6,11H,7-10H2,1-2H3;2*1H
- Synonyms
- 5H-Pyridazino(3,4-b)(1,4)benzoxazine, 5-methyl-3-(4-methyl-1-piperazinyl)-, dihydrochloride | BCP27680 | A0623 | Azaf...
- Doxapram hydrochloride monohydrate, Potassium channel subfamily K member 9 blockerCAS: 7081-53-0 Formula: C24H30N2O2 • HCl • H2O Molecular Weight: 432.98● In Stock — US Item #: D275333View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;hydrate;hydrochloride
- SMILES
- CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4.O.Cl
- InChIKey
- ZOMBFZRWMLIDPX-UHFFFAOYSA-N
- InChI
- 1S/C24H30N2O2.ClH.H2O/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;;/h3-12,22H,2,13-19H2,1H3;1H;1H2
- Synonyms
- 1-Ethyl-4-(2-morpholinoethyl)-3,3-diphenylpyrrolidin-2-one xhydrochloride yhydrate | CCG-269048 | Doxapram HCl H2O | ...
![N-[(4-Fluorophenyl)methyl]-1-methyl-4-piperidinamine - ≥95% CAS No(359878-47-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/N/3/N303537.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.