Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9539789488
Compound
Show structures
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 USD | 98 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
MCULE-9943796876
- Component type: Main
-
MCULE-7532781153
- Component type: Main
-
MCULE-8479789354
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9539789488.sdf |
| SMILES | MCULE-9539789488.smiles |
| Standard InChI | MCULE-9539789488.inchi |
| InChIKey | MCULE-9539789488.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867543353 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875700053 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-505404121 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505353842 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-552048408 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-872696612 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-454630234 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-607694716 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1.96599 kg |
| P-868653085 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-34802225 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-580443045 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889116997 | FluoroChem | In Stock BB | N/A | As is | 752.25 g |
| P-590342767 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-505492051 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-503008328 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502683461 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492217475 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-524163751 | Key Organics | Building Blocks | 98 | As is | 1000 g |
| P-855992542 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-31141537 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-613284645 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-588254536 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852399899 | Matrix Scientific | All | N/A | As is | in stock |
| P-863719623 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-620235304 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
| P-12954166 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-500404854 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-856063687 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 2.2 g |
| P-18845214 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-12305139 | Specs | Screening Compounds | 90 | As is | 43 mg |
| P-22794881 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502329862 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-668040 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 6.472 g |
| P-3243934 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 6.472 g |
| P-480897409 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| P-875699300 | AA Blocks | AA Blocks | N/A | As a main component | in stock |
| P-881672674 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-505395052 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-606864054 | AmBeed | In stock | N/A | As a main component | in stock |
| P-489192748 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
| P-597005506 | Angene | Building Blocks in stock | 98 | As a main component | 20 kg |
| P-889578780 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-674401768 | BLD pharm | In-stock building blocks | 98 | As a main component | 1.6 kg |
| P-868602279 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
| P-862033121 | FluoroChem | General BB | N/A | As a main component | in stock |
| P-504021309 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
| P-504021800 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
| P-504022180 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
| P-524167438 | Key Organics | Building Blocks | 98 | As a main component | 100 mg |
| P-852468203 | Matrix Scientific | All | N/A | As a main component | in stock |
| P-611366164 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-481014940 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 186.590 |
| logP | 1.8034 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 44.5228 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
