Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4427268331
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 | 28 USD | 99 | 15 working days | Get Quote |
| 5 mg | 39 USD | 98 | 11 working days | Get Quote |
| 10 mg | 39 USD | 98 | 11 working days | Get Quote |
- 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-4427268331.sdf |
| SMILES | MCULE-4427268331.smiles |
| Standard InChI | MCULE-4427268331.inchi |
| InChIKey | MCULE-4427268331.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903039159 | 99 | As is | 50 mg |
| P-893568981 | 90 | As is | 798 mg |
| P-893525013 | 90 | As is | 457 mg |
| P-500416319 | 98 | As is | by synthesis |
| P-890242527 | 99 | As is | 41 mg |
| P-452649439 | 98 | As is | in stock |
| P-452654403 | 98 | As is | in stock |
| P-887322418 | 95 | As is | by synthesis |
| P-579477679 | 95 | As is | in stock |
| P-896626364 | 95 | As is | by synthesis |
| P-854691389 | 95 | As is | in stock |
| P-584621072 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 284.262 |
| logP | 2.7306 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 57.15 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 72.737 |
| Atoms | 33 |
| Rings | 5 |
| Heavy atoms | 21 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
