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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Ready-to-screen compound libraries and focused sets for hit discovery. Browse libraries by target class, pathway, scaffold, or application, and review size, format, and compound information to build screening panels.Customize Your Screening Library to choose compounds, format, and volume, and we’ll prepare a ready-to-use set for you.Customize Your Screening Library
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 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 to assemble or screen PROTAC designs, with clear identifiers for efficient selection.
By Signaling Pathways
102,620Explore 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 —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
- 5’-Adenosine Triphosphate (ATP) Disodium Salt Purity Reference MaterialCAS: 987-65-5 Formula: C10H14N5Na2O13P3 Molecular Weight: 551.15Standard value: 92.0 unit: standard value (%, g / 100g) expanded uncertainty (%, g / 100g) (k = 2): 0.7◐ .Made to order · 8–12 wks Item #: A302003View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
- SMILES
- C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Na+].[Na+]
- InChIKey
- TTWYZDPBDWHJOR-IDIVVRGQSA-L
- InChI
- show more
- Synonyms
- EINECS 213-579-1 | Adenosine 5'-Triphosphate, disodium salt | Disodium adenosine triphosphate | DTXSID80891312 | Trip...
- 4',5,7-trimethoxyflavoneSolid 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 Item #: T358915View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
- SMILES
- COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC
- InChIKey
- ZXJJBDHPUHUUHD-UHFFFAOYSA-N
- InChI
- 1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3
- Synonyms
- 4H-1-Benzenopyran-4-one, 5,7-dimethoxy-2-(4-methoxyphenyl)- | 5,7,4'-rimethoxyflavone | A830998 | KBioGR_002516 | 2-(...
- Boc-3,5-dibromo-D-tyrosineCAS: 204692-75-1 Formula: C14H17Br2NO5 Molecular Weight: 439.1● In Stock — US Item #: B356209View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- SMILES
- CC(C)(C)OC(=O)NC(CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O
- InChIKey
- FIKNCGRWSBGBKP-SNVBAGLBSA-N
- InChI
- 1S/C14H17Br2NO5/c1-14(2,3)22-13(21)17-10(12(19)20)6-7-4-8(15)11(18)9(16)5-7/h4-5,10,18H,6H2,1-3H3,(H,17,21)(H,19,20)/t10-/m1/s1
- Synonyms
- DTXSID80679410 | (R)-2-(tert-butoxycarbonylamino)-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid | AKOS027327577 | MFC...
- Oxapropanium Iodide◐ .Made to order · 8–12 wks Item #: O356681View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,3-dioxolan-4-ylmethyl(trimethyl)azanium;iodide
- SMILES
- C[N+](C)(C)CC1COCO1.[I-]
- InChIKey
- HQWAEQCLIWVOMF-UHFFFAOYSA-M
- InChI
- 1S/C7H16NO2.HI/c1-8(2,3)4-7-5-9-6-10-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1
- Synonyms
- (1,3-Dioxolan-4-yl)-N,N,N-trimethylmethanaminium iodide | (1,3-Dioxolan-4-ylmethyl)trimethylammonium iodide | Oxaprop...
- [Gln8]-LH-RH (chicken)◐ .Made to order · 8–12 wks Item #: G275673View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
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- InChIKey
- WPKQYFUSPONRAT-BXXNOCLASA-N
- InChI
- show more
- Synonyms
- 8-Glutamine-LHRH | chicken GnRH | (Pglu-his-trp-ser-tyr-gly-leu-gln-pro-glynh2) | LHRH, Glutamine(8)- | 8-Gln-LHRH | ...
- Ouabain octahydrateMoligand™ ? 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 Item #: G129536View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.O.O.O.O.O.O.O.O
- InChIKey
- TYBARJRCFHUHSN-DMJRSANLSA-N
- InChI
- show more
- Synonyms
- CARD-20(22)-ENOLIDE, 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-1,5,11,14,19-PENTAHYDROXY-, OCTAHYDRATE, (1.BETA.,3.BE...
- MetadoxineCAS: 74536-44-0 Formula: C13H18N2O6 Molecular Weight: 298.3● In Stock — US Item #: M351204View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;(2S)-5-oxopyrrolidine-2-carboxylic acid
- SMILES
- CC1=NC=C(C(=C1O)CO)CO.C1CC(=O)NC1C(=O)O
- InChIKey
- RYKKQQUKJJGFMN-HVDRVSQOSA-N
- InChI
- 1S/C8H11NO3.C5H7NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5;7-4-2-1-3(6-4)5(8)9/h2,10-12H,3-4H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)/t;3-/m.0/s1
- Synonyms
- CCG-267444 | PYRIDOXINE PYROGLUTAMATE | InChI=1/C11H13NO4/c1-12(7-10(13)14)11(15)16-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(...
- Choline Fenofibrate, Peroxisome proliferator-activated receptor alpha agonist● In Stock — US Item #: C345250View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-hydroxyethyl(trimethyl)azanium
- SMILES
- CC(C)(C(=O)[O-])OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.C[N+](C)(C)CCO
- InChIKey
- JWAZHODZSADEHB-UHFFFAOYSA-M
- InChI
- 1S/C17H15ClO4.C5H14NO/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11;1-6(2,3)4-5-7/h3-10H,1-2H3,(H,20,21);7H,4-5H2,1-3H3/q;+1/p-1
- Synonyms
- A863484 | FT-0665026 | Q27259379 | CHOLINE FENOFIBRATE [WHO-DD] | cholini fenofibratum | 2-Hydroxy-N,N,N-trimethyleth...
- Laquinimod Sodium SaltCAS: 248282-07-7 Formula: C19H16ClN2NaO3 Molecular Weight: 378.78◐ .Made to order · 8–12 wks Item #: L353742View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-olate
- SMILES
- CCN(C1=CC=CC=C1)C(=O)C2=C(C3=C(C=CC=C3Cl)N(C2=O)C)[O-].[Na+]
- InChIKey
- JWHPPWBIIQMBQC-UHFFFAOYSA-M
- InChI
- 1S/C19H17ClN2O3.Na/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24;/h4-11,23H,3H2,1-2H3;/q;+1/p-1
- Synonyms
- SODIUM 5-CHLORO-3-(ETHYLPHENYLCARBAMOYL)-1-METHYL-2-OXO-1,2-DIHYDROQUINOLIN-4-OLATE | sodium5-chloro-3-(ethyl(phenyl)...
- Oxatomide, Histamine H1 receptor antagonist● In Stock — US Item #: O339246View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one
- SMILES
- C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5
- InChIKey
- BAINIUMDFURPJM-UHFFFAOYSA-N
- InChI
- 1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)
- Synonyms
- Lopac0_000924 | CHEBI:31943 | McN-JR 35443 | oxatomide | Oxatomide, >=99% | 2H-Benzimidazol-2-one, 1-(3-(4-(diphenylm...
- Nebularine● In Stock — US Item #: N348991View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
- SMILES
- C1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O
- InChIKey
- MRWXACSTFXYYMV-FDDDBJFASA-N
- InChI
- 1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1
- Synonyms
- HMS3261E08 | SR-01000075836 | BDBM50335291 | LP00423 | 9-.beta.-D-Ribofuranosyl-9H-purine | 9H-Purine, 9.beta.-D-ribo...
- AHN 1-055 hydrochlorideSolid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%◐ .Made to order · 8–12 wks Item #: F287107View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
- SMILES
- CN1C2CCC1CC(C2)OC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl
- InChIKey
- YOORVSGDAHWVMC-UHFFFAOYSA-N
- InChI
- 1S/C21H23F2NO.ClH/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15;/h2-9,18-21H,10-13H2,1H3;1H
- Synonyms
- 3α-Bis-(4-fluorophenyl) Methoxytropane hydrochloride
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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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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.