Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1202160875-0
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 | 125 USD | 90 | 17 working days | Get Quote |
| 5 mg | 148 USD | 90 | 17 working days | Get Quote |
| 10 mg | 165 USD | 90 | 17 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-2598488562-0
- Component type: Main
-
1
MCULE-6647815245-2
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1202160875-0.sdf |
| SMILES | MCULE-1202160875-0.smiles |
| Standard InChI | MCULE-1202160875-0.inchi |
| InChIKey | MCULE-1202160875-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852395604 | N/A | As is | in stock |
| P-873218469 | 90 | As is | in stock |
| P-903662168 | 94 | As is | by resynthesis (? - ? days) |
| P-892979594 | N/A | Main component | by synthesis |
| P-596507839 | 90 | Main component | unavailable |
| P-563690019 | 95 | Main component | 1000 mg |
| P-869052581 | 95 | Main component | by synthesis |
| P-886303059 | N/A | Main component as a main component | by synthesis |
| P-892494810 | 90 | Main component as a main component | 1000 mg |
| P-675475252 | 90 | Main component as a main component | in stock |
| P-675491331 | 95 | Main component as a main component | in stock |
| P-851998579 | 96 | Main component as a main component | in stock |
| P-25757944 | 90 | Main component as a main component | 39 mg |
| P-852388885 | N/A | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 595.597 |
| logP | 6.8636 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 7 |
| PSA | 133.12 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 170.2144 |
| Atoms | 84 |
| Rings | 4 |
| Heavy atoms | 40 |
| Hydrogen atoms | 44 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
