Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8893820969-0
Structure
Show compound
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-8893820969-0.sdf |
| SMILES | MCULE-8893820969-0.smiles |
| Standard InChI | MCULE-8893820969-0.inchi |
| InChIKey | MCULE-8893820969-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-612823559 | A2B Chem | All | 98 | As is | in stock | July 13, 2020 |
| P-597027497 | AEchem | Building blocks | 95 | As is | in stock | February 20, 2020 |
| P-505389579 | AK Scientific | Building Blocks | 95 | As is | in stock | July 13, 2018 |
| P-505353629 | AK Scientific | Building Blocks | 98 | As is | in stock | July 13, 2018 |
| P-606900082 | AmBeed | In stock | 98 | As is | in stock | April 7, 2020 |
| P-489137400 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock | December 20, 2016 |
| P-596954213 | Angene | Building Blocks | 98 | As is | in stock | February 1, 2020 |
| P-580193227 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock | July 7, 2017 |
| P-494305504 | Apollo Scientific | In Stock | 95 | As is | in stock | August 1, 2017 |
| P-494333928 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) | August 1, 2017 |
| P-617548107 | AvaChem Scientific | Avachem in-stock compounds | 95 | As is | in stock | January 6, 2021 |
| P-580452468 | BIOTREND Chemicals | All products | 99 | As is | in stock | May 30, 2017 |
| P-580709678 | BLD pharm | In-stock building blocks | 98 | As is | 100.697 g | April 29 |
| P-505456394 | BOCSCI | All products | 98 | As is | in stock | July 6, 2017 |
| P-505575887 | Bosche Scientific | Bosche Products | 98 | As is | in stock | August 1, 2017 |
| P-485266096 | ChemScene | Stock compounds | 98 | As is | 513.194 g | Yesterday |
| P-505605416 | Chemcia | Virtual compounds | 95 | As is | by synthesis | July 1, 2017 |
| P-851257875 | Chemshuttle | On request catalog | 95 | As is | by synthesis | April 12 |
| P-608218910 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock | April 28, 2020 |
| P-505493957 | Hangzhou Apichem | All products | 95 | As is | in stock | June 30, 2017 |
| P-524443805 | Key Organics | Biochemicals | 97 | As is | 10.121 g | May 11 |
| P-579615184 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock | August 11, 2017 |
| P-852504495 | Matrix Scientific | All | 97 | As is | in stock | February 18 |
| P-588276627 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock | June 1, 2019 |
| P-474022366 | MedKoo | In stock compounds | 95 | As is | in stock | August 8, 2017 |
| P-608276849 | Molnova | Stock | 98 | As is | in stock | May 7, 2020 |
| P-579710052 | Selleckchem | Product Catalog | 99 | As is | in stock | June 16, 2020 |
| P-611395994 | Toronto Research | In stock | N/A | As is | in stock | June 25, 2020 |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 369.460 |
| logP | 3.6027 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 81.93 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 106.4997 |
| Atoms | 54 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 27 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
