Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5301682464
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 | 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 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-5301682464.sdf |
| SMILES | MCULE-5301682464.smiles |
| Standard InChI | MCULE-5301682464.inchi |
| InChIKey | MCULE-5301682464.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867566395 | 98 | As is | in stock |
| P-875725836 | N/A | As is | in stock |
| P-903054884 | 98 | As is | 38.5 kg |
| P-851937797 | N/A | As is | in stock |
| P-596947135 | 98 | As is | 56 kg |
| P-895956142 | 95 | As is | unavailable |
| P-864161485 | 95 | As is | in stock |
| P-901453019 | 95 | As is | by synthesis |
| P-868608596 | 95 | As is | in stock |
| P-905429714 | 97 | As is | 636 g |
| P-870655881 | N/A | As is | in stock |
| P-488554717 | 90 | As is | in stock |
| P-427875387 | 95 | As is | 300 mg |
| P-31145937 | 90 | As is | 10 g |
| P-613284663 | 95 | As is | by synthesis |
| P-852504983 | N/A | As is | in stock |
| P-854747042 | 95 | As is | in stock |
| P-650821966 | 90 | As is | by synthesis |
| P-864655420 | 92 | As is | 300 mg |
| P-889873508 | 95 | As is | by synthesis |
| P-19532137 | 90 | As is | in stock |
| P-535675947 | N/A | As is | in stock |
| P-896077820 | N/A | As is | 5.653 g |
| P-22822491 | 90 | As is | in stock |
| P-502365001 | 90 | As is | in stock |
| P-906780445 | 99 | As is | by synthesis |
| P-611468651 | 90 | As is | in stock |
| P-1252852 | 90 | As is | 137 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 268.353 |
| logP | 3.0496 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 23.55 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 84.7305 |
| Atoms | 40 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 20 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
