Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7669860450-0
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 | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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.
| Name | File |
|---|---|
| SDF | MCULE-7669860450-0.sdf |
| SMILES | MCULE-7669860450-0.smiles |
| Standard InChI | MCULE-7669860450-0.inchi |
| InChIKey | MCULE-7669860450-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886603792 | 95 | As is | in stock |
| P-901269674 | N/A | As is | in stock |
| P-869312472 | 95 | As is | in stock |
| P-903140360 | 95 | As is | 5 g |
| P-867731177 | N/A | As is | by synthesis |
| P-889816694 | 95 | As is | by synthesis |
| P-862396232 | 95 | As is | by synthesis |
| P-901554430 | 95 | As is | by synthesis |
| P-893622035 | 98 | As is | in stock |
| P-502453956 | 95 | As is | by synthesis |
| P-14056666 | 95 | As is | 202 mg |
| P-601075696 | 90 | As is | 202 mg |
| P-852507074 | N/A | As is | in stock |
| P-854839783 | 95 | As is | by synthesis |
| P-19759388 | 90 | As is | in stock |
| P-33989111 | 90 | As is | in stock |
| P-855224098 | 90 | As is | in stock |
| P-2597883 | 90 | As is | 132 mg |
| P-893801504 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 256.052 |
| logP | 1.2542 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 52.21 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.706 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
