Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6447390432
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 | 23 USD | 98 | 15 working days | Get Quote |
| 5 mg | 23 USD | 98 | 15 working days | Get Quote |
| 10 mg | 23 USD | 98 | 15 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-6447390432.sdf |
| SMILES | MCULE-6447390432.smiles |
| Standard InChI | MCULE-6447390432.inchi |
| InChIKey | MCULE-6447390432.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852101632 | 97 | As is | by synthesis |
| P-901273126 | N/A | As is | in stock |
| P-869211321 | 95 | As is | in stock |
| P-903157593 | 95 | As is | 1000 mg |
| P-893601466 | 90 | As is | 15.8 g |
| P-580214044 | 95 | As is | by synthesis |
| P-901661716 | N/A | As is | in stock |
| P-905464610 | 95 | As is | in stock |
| P-901918859 | 98 | As is | 10.99 g |
| P-893621348 | 95 | As is | in stock |
| P-861954264 | 97 | As is | 5.8 g |
| P-855913634 | 97 | As is | 1000 mg |
| P-596568163 | 95 | As is | 1000 mg |
| P-580478024 | 95 | As is | by synthesis |
| P-864005448 | 95 | As is | by synthesis |
| P-26410969 | 90 | As is | 79 mg |
| P-519875519 | 90 | As is | in stock |
| P-535718608 | N/A | As is | in stock |
| P-904096149 | 95 | As is | 10.14 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 166.216 |
| logP | 2.1386 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 29.46 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.6758 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 14 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
