Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-7878619964-0
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 | 4 USD | N/A | 22 working days | Get Quote |
| 5 mg | 17 USD | N/A | 22 working days | Get Quote |
| 10 mg | 28 USD | N/A | 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.
-
2
MCULE-1764209130-0
- Component type: Main
-
1
MCULE-1504889908-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7878619964-0.sdf |
| SMILES | MCULE-7878619964-0.smiles |
| Standard InChI | MCULE-7878619964-0.inchi |
| InChIKey | MCULE-7878619964-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587235 | N/A | As is | in stock |
| P-875746171 | N/A | As is | in stock |
| P-869301200 | 98 | As is | in stock |
| P-597010871 | 98 | As is | 200 mg |
| P-864159027 | 98 | As is | in stock |
| P-892252984 | 95 | As is | by synthesis |
| P-869177462 | 95 | As is | in stock |
| P-892295507 | 95 | As is | unavailable |
| P-892337922 | 95 | As is | 88 mg |
| P-901337485 | 95 | Main component | by synthesis |
| P-675219141 | 95 | Main component | in stock |
| P-854989068 | 90 | Main component | in stock |
| P-852183870 | N/A | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 676.818 |
| logP | 4.1656 |
| H-bond acceptors | 12 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 182.52 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 183.2372 |
| Atoms | 95 |
| Rings | 6 |
| Heavy atoms | 47 |
| Hydrogen atoms | 48 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
