Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-6869323868-0
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 | 98 | 22 working days | Get Quote |
| 5 mg | 10 USD | 98 | 22 working days | Get Quote |
| 10 mg | 15 USD | 98 | 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-3550001016-0
- Component type: Main
-
2
MCULE-3833394421-0
- Component type: Counter Ion
-
1
MCULE-5726619687-3
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6869323868-0.sdf |
| SMILES | MCULE-6869323868-0.smiles |
| Standard InChI | MCULE-6869323868-0.inchi |
| InChIKey | MCULE-6869323868-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-675213373 | 95 | As is | in stock |
| P-867646166 | 98 | Main component | in stock |
| P-875814154 | N/A | Main component | in stock |
| P-869191709 | 95 | Main component | in stock |
| P-505403378 | 98 | Main component | in stock |
| P-606905015 | N/A | Main component | in stock |
| P-596970071 | 98 | Main component | 20 g |
| P-864123337 | 98 | Main component | in stock |
| P-893238100 | 95 | Main component | in stock |
| P-860799429 | 98 | Main component | in stock |
| P-505545650 | 95 | Main component | in stock |
| P-869121690 | 95 | Main component | by synthesis |
| P-892289869 | 95 | Main component | unavailable |
| P-888636289 | 95 | Main component | 187 mg |
| P-611475035 | 90 | Main component | in stock |
| P-480967781 | 95 | Main component | in stock |
| P-881652961 | 98 | Main component as a main component | in stock |
| P-869128992 | 95 | Main component as a main component | by synthesis |
| P-888641477 | 95 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 512.296 |
| logP | 1.4085 |
| H-bond acceptors | 13 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 199.49 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 106.3801 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 16 |
| Heteroatoms | 17 |
| N/O atoms | 13 |
| Inorganic atoms | 2 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
