Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-6686967572
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 | 38 USD | 98 | 22 working days | Get Quote |
| 5 mg | 79 USD | 97 | 10 working days | Get Quote |
| 10 mg | 96 USD | 97 | 10 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-6686967572.sdf |
| SMILES | MCULE-6686967572.smiles |
| Standard InChI | MCULE-6686967572.inchi |
| InChIKey | MCULE-6686967572.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867549530 | 98 | As is | in stock |
| P-875707240 | N/A | As is | in stock |
| P-869371274 | 95 | As is | in stock |
| P-881620152 | N/A | As is | by synthesis |
| P-881623917 | N/A | As is | by synthesis |
| P-888814042 | N/A | As is | 10 mg |
| P-881653377 | 98 | As is | in stock |
| P-881653391 | 98 | As is | in stock |
| P-869420326 | 95 | As is | by synthesis |
| P-868543774 | 99 | As is | in stock |
| P-893252770 | 95 | As is | by synthesis |
| P-580450675 | 98 | As is | in stock |
| P-524439910 | 97 | As is | 486 mg |
| P-869127651 | 95 | As is | by synthesis |
| P-888640665 | 95 | As is | unavailable |
| P-855065578 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 324.397 |
| logP | 2.49358 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 99.01 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 82.4028 |
| Atoms | 42 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 20 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |
