Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7362057110-0
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 | 292 USD | 95 | 22 working days | Get Quote |
| 5 mg | 292 USD | 95 | 22 working days | Get Quote |
| 10 mg | 292 USD | 95 | 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.
-
MCULE-8586614081-0
- Component type: Main
-
MCULE-4830412091-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7362057110-0.sdf |
| SMILES | MCULE-7362057110-0.smiles |
| Standard InChI | MCULE-7362057110-0.inchi |
| InChIKey | MCULE-7362057110-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-894627440 | 95 | As is | in stock |
| P-1263096723 | N/A | As is | by synthesis |
| P-905572012 | 95 | As is | by synthesis |
| P-901480861 | 95 | As is | by synthesis |
| P-854847827 | 95 | As is | by synthesis |
| P-886700256 | 95 | As a main component | in stock |
| P-886700057 | 95 | As a main component | in stock |
| P-904626199 | 95 | As a main component | in stock |
| P-851442118 | N/A | As a main component | by synthesis |
| P-851861798 | N/A | As a main component | by synthesis |
| P-611015621 | 95 | As a main component | by synthesis |
| P-611100096 | 95 | As a main component | by synthesis |
| P-901440776 | 95 | As a main component | by synthesis |
| P-901442119 | 95 | As a main component | by synthesis |
| P-855216176 | 90 | As a main component | in stock |
| P-893831586 | 95 | As a main component | by synthesis |
| P-893827324 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 166.224 |
| logP | 1.2565 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 53.6 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 50.1454 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
