Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4438918311
Compound
Show structure
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 | 95 | 7 working days | Get Quote |
| 5 mg | 292 USD | 98 | 37 working days | Get Quote |
| 10 mg | 292 USD | 98 | 37 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-9567736199
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4438918311.sdf |
| SMILES | MCULE-4438918311.smiles |
| Standard InChI | MCULE-4438918311.inchi |
| InChIKey | MCULE-4438918311.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893110034 | N/A | As is | by synthesis |
| P-903143984 | 95 | As is | 100 mg |
| P-905023628 | N/A | As is | by synthesis |
| P-1263350376 | 98 | As is | by synthesis |
| P-904066043 | 95 | As is | by synthesis |
| P-892230202 | 95 | As is | by synthesis |
| P-892291753 | 95 | As is | unavailable |
| P-892323184 | 95 | As is | 50 mg |
| P-867499575 | N/A | As a main component | by synthesis |
| P-893453689 | 90 | As a main component | 600 mg |
| P-851680015 | N/A | As a main component | by synthesis |
| P-872725249 | 98 | As a main component | in stock |
| P-591012638 | 98 | As a main component | by synthesis |
| P-901567124 | 95 | As a main component | by synthesis |
| P-895213009 | 95 | As a main component | by synthesis |
| P-869128924 | 95 | As a main component | by synthesis |
| P-888641435 | 95 | As a main component | unavailable |
| P-596714271 | 90 | As a main component | 15 mg |
| P-855066975 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 583.590 |
| logP | 3.9966 |
| H-bond acceptors | 12 |
| H-bond donors | 0 |
| Rotatable bonds | 11 |
| PSA | 136.78 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 157.2735 |
| Atoms | 72 |
| Rings | 5 |
| Heavy atoms | 43 |
| Hydrogen atoms | 29 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
