Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5308341595-1
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 | 36 USD | 95 | 15 working days | Get Quote |
| 5 mg | 67 USD | 95 | 15 working days | Get Quote |
| 10 mg | 78 USD | 92 | 18 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-5308341595-1.sdf |
| SMILES | MCULE-5308341595-1.smiles |
| Standard InChI | MCULE-5308341595-1.inchi |
| InChIKey | MCULE-5308341595-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867316109 | 97 | As is | by synthesis |
| P-904538652 | 95 | As is | in stock |
| P-893455684 | 90 | As is | 16.015 g |
| P-579511045 | 90 | As is | 2 g |
| P-890209000 | 90 | As is | in stock |
| P-675482633 | 90 | As is | in stock |
| P-492225951 | 95 | As is | in stock |
| P-488551783 | 90 | As is | in stock |
| P-13764698 | 95 | As is | 300 mg |
| P-601067213 | 90 | As is | 388 mg |
| P-467979453 | 95 | As is | 388 mg |
| P-895260311 | 95 | As is | by synthesis |
| P-454369627 | 92 | As is | in stock |
| P-611605623 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 220.199 |
| logP | 2.0024 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 54.98 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.2612 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 9 |
| 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 |
