Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8909929116
Compound
Show structure
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 | 4 USD | 98 | 9 working days | Get Quote |
| 5 mg | 4 USD | 98 | 9 working days | Get Quote |
| 10 mg | 4 USD | 98 | 9 working days | Get Quote |
New customers are eligible for 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- 1-Click Scaffold Hop Find novel active ligands structurally different from the ligand.
- 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.
| Name | File |
|---|---|
| SDF | MCULE-8909929116.sdf |
| SMILES | MCULE-8909929116.smiles |
| Standard InChI | MCULE-8909929116.inchi |
| InChIKey | MCULE-8909929116.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-867602561 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock | March 22 |
| P-875759964 | AA Blocks | AA Blocks | N/A | As is | in stock | June 9 |
| P-505390007 | AK Scientific | Building Blocks | 99 | As is | in stock | July 13, 2018 |
| P-505389251 | AK Scientific | Building Blocks | 99 | As is | in stock | July 13, 2018 |
| P-617325693 | Alinda | Stock Screening Compounds | 90 | As is | in stock | December 23, 2020 |
| P-606844708 | AmBeed | In stock | N/A | As is | in stock | April 7, 2020 |
| P-596959649 | Angene | Building Blocks in stock | 98 | As is | 2.945 kg | September 23 |
| P-580721656 | BLD pharm | In-stock building blocks | 98 | As is | 660 g | September 27 |
| P-597037079 | Bosche Scientific | Bosche Products | 98 | As is | in stock | January 22, 2020 |
| P-578050475 | Chemfaces | Natural Compounds | 98 | As is | in stock | August 22 |
| P-851268191 | Chemshuttle | On request catalog | N/A | As is | by synthesis | January 16 |
| P-868615507 | Combi-Blocks | Building Block in stock | 98 | As is | in stock | October 7, 2022 |
| P-579476765 | DC Chemicals Limited | Stock Products | 95 | As is | in stock | September 10, 2018 |
| P-505512806 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock | June 30, 2017 |
| P-524444385 | Key Organics | Biochemicals | 97 | As is | unavailable | September 28 |
| P-31159211 | LaboTest | Screening Collection | 90 | As is | in stock | May 19, 2020 |
| P-854693348 | MedChemExpress | Natural Products In stock | 95 | As is | in stock | June 6, 2022 |
| P-474023884 | MedKoo | In stock compounds | 95 | As is | in stock | August 8, 2017 |
| P-608277883 | Molnova | Stock | 98 | As is | in stock | May 7, 2020 |
| P-881190204 | Otava | In-House Stock Library | 90 | As is | in stock | July 27 |
| P-23885758 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock | August 5, 2013 |
| P-579710405 | Selleckchem | Product Catalog | N/A | As is | in stock | June 16, 2020 |
| P-869108055 | TargetMol | Screening Compounds | 95 | As is | 23.462 g | March 1 |
| P-611486742 | Toronto Research | In stock | 90 | As is | in stock | June 25, 2020 |
| P-855011366 | Toronto Research | In stock | 90 | As is | in stock | May 10, 2022 |
| P-855011367 | Toronto Research | In stock | 90 | As is | in stock | May 10, 2022 |
| P-1134748 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.03 g | Saturday |
| P-3226750 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.03 g | Saturday |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 198.215 |
| logP | 0.4272 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 58.92 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 51.3636 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
