Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6036558084-0
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 117 USD | 90 | 27 working days | Get Quote |
| 10 mg | 123 USD | 95 | 24 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-8336190757-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6036558084-0.sdf |
| SMILES | MCULE-6036558084-0.smiles |
| Standard InChI | MCULE-6036558084-0.inchi |
| InChIKey | MCULE-6036558084-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886649520 | 95 | As is | in stock |
| P-889948382 | N/A | As is | by synthesis |
| P-869221733 | 95 | As is | in stock |
| P-903211369 | 95 | As is | 5 g |
| P-889803015 | 95 | As is | by synthesis |
| P-905539093 | 95 | As is | by synthesis |
| P-901562147 | 95 | As is | by synthesis |
| P-3893551 | 90 | As is | 1 mg |
| P-855360085 | 90 | As is | in stock |
| P-893850355 | 95 | As is | by synthesis |
| P-893094982 | N/A | As a main component | by synthesis |
| P-904626801 | 95 | As a main component | in stock |
| P-851544325 | N/A | As a main component | by synthesis |
| P-590886365 | 97 | As a main component | by synthesis |
| P-619934452 | 90 | As a main component | by synthesis |
| P-584598934 | 95 | As a main component | in stock |
| P-852428491 | N/A | As a main component | in stock |
| P-874439607 | 95 | As a main component | by synthesis |
| P-888666453 | 90 | As a main component | in stock |
| P-617781514 | 90 | As a main component | 4 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 233.309 |
| logP | 1.7594 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 58.36 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 72.1941 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 19 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
