Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2493758379
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 | 62 USD | N/A | 9 working days | Get Quote |
| 5 mg | 63 USD | 95 | 14 working days | Get Quote |
| 10 mg | 99 USD | 95 | 14 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-4132500567
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2493758379.sdf |
| SMILES | MCULE-2493758379.smiles |
| Standard InChI | MCULE-2493758379.inchi |
| InChIKey | MCULE-2493758379.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867570948 | 95 | As a main component | in stock |
| P-875731361 | N/A | As a main component | in stock |
| P-894669534 | 95 | As a main component | in stock |
| P-903060394 | 95 | As a main component | 100 mg |
| P-893605128 | 90 | As a main component | 10.232 g |
| P-1263078509 | N/A | As a main component | in stock |
| P-895094649 | 98 | As a main component | 2 g |
| P-872726339 | 98 | As a main component | in stock |
| P-1263785849 | 95 | As a main component | in stock |
| P-905132027 | 98 | As a main component | 1.592 g |
| P-873244865 | 97 | As a main component | 50 mg |
| P-854711877 | 95 | As a main component | in stock |
| P-892258675 | 95 | As a main component | by synthesis |
| P-892297036 | 95 | As a main component | unavailable |
| P-892341329 | 95 | As a main component | 100 mg |
| P-611347594 | 90 | As a main component | in stock |
| P-893675403 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 321.255 |
| logP | 4.5468 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 27.82 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 86.9834 |
| Atoms | 40 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 21 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
