Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-7012854404-0
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 | 10 USD | 98 | 22 working days | Get Quote |
| 5 mg | 10 USD | 98 | 22 working days | Get Quote |
| 10 mg | 10 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-2950373497-0
- Component type: Main
-
1
MCULE-3549142744-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7012854404-0.sdf |
| SMILES | MCULE-7012854404-0.smiles |
| Standard InChI | MCULE-7012854404-0.inchi |
| InChIKey | MCULE-7012854404-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852078873 | 97 | Main component | by synthesis |
| P-875754421 | N/A | Main component | in stock |
| P-853436080 | 95 | Main component | in stock |
| P-900245033 | 98 | Main component | 30 g |
| P-889548938 | 98 | Main component | in stock |
| P-580450266 | 99 | Main component | in stock |
| P-869119998 | 95 | Main component | by synthesis |
| P-892289330 | 95 | Main component | unavailable |
| P-888634849 | 95 | Main component | 51 mg |
| P-666966618 | 95 | Main component | in stock |
| P-867566798 | 98 | Main component as a main component | in stock |
| P-869181360 | 95 | Main component as a main component | in stock |
| P-505354399 | N/A | Main component as a main component | in stock |
| P-505389373 | 99 | Main component as a main component | in stock |
| P-596947553 | 98 | Main component as a main component | 1000 g |
| P-864153969 | 95 | Main component as a main component | in stock |
| P-893219044 | 95 | Main component as a main component | in stock |
| P-893228941 | 95 | Main component as a main component | in stock |
| P-524441074 | 97 | Main component as a main component | 498 mg |
| P-500401096 | 98 | Main component as a main component | by synthesis |
| P-611619272 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 492.518 |
| logP | 1.6452 |
| H-bond acceptors | 11 |
| H-bond donors | 4 |
| Rotatable bonds | 13 |
| PSA | 170.54 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 129.0661 |
| Atoms | 67 |
| Rings | 2 |
| Heavy atoms | 35 |
| Hydrogen atoms | 32 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
