Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-4635344327-0
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 | 6 USD | 99 | 22 working days | Get Quote |
| 5 mg | 6 USD | 99 | 22 working days | Get Quote |
| 10 mg | 6 USD | 99 | 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.
-
1
MCULE-1716939647-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4635344327-0.sdf |
| SMILES | MCULE-4635344327-0.smiles |
| Standard InChI | MCULE-4635344327-0.inchi |
| InChIKey | MCULE-4635344327-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892254400 | 95 | As is | by synthesis |
| P-892339129 | 95 | As is | unavailable |
| P-867585719 | 99 | Main component | in stock |
| P-875744143 | N/A | Main component | in stock |
| P-606885379 | N/A | Main component | in stock |
| P-596954167 | 98 | Main component | 7.5 kg |
| P-864140211 | 95 | Main component | in stock |
| P-893225254 | 95 | Main component | in stock |
| P-675211451 | 95 | Main component | in stock |
| P-578136820 | 90 | Main component | in stock |
| P-583850788 | 92 | Main component | in stock |
| P-500374489 | 98 | Main component | by synthesis |
| P-869118272 | 95 | Main component | by synthesis |
| P-892288774 | 95 | Main component | 1.002 g |
| P-888633349 | 95 | Main component | 1.002 g |
| P-502339998 | 90 | Main component | in stock |
| P-611356102 | 90 | Main component | in stock |
| P-464689893 | 90 | Main component | 1.944 g |
| P-2376827 | 90 | Main component | 1.944 g |
| P-575296369 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 253.747 |
| logP | 1.3678 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 96.41 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 66.9398 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
