Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4941883671
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 | 63 USD | 95 | 7 working days | Get Quote |
| 5 mg | 98 USD | 98 | 15 working days | Get Quote |
| 10 mg | 98 USD | 98 | 15 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.
| Name | File |
|---|---|
| SDF | MCULE-4941883671.sdf |
| SMILES | MCULE-4941883671.smiles |
| Standard InChI | MCULE-4941883671.inchi |
| InChIKey | MCULE-4941883671.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867693765 | 95 | As is | in stock |
| P-875874243 | N/A | As is | in stock |
| P-874601460 | N/A | As is | in stock |
| P-903368306 | 95 | As is | 100 mg |
| P-893605028 | 90 | As is | 1.657 g |
| P-904026747 | N/A | As is | in stock |
| P-895110706 | N/A | As is | 10 mg |
| P-889795984 | 95 | As is | by synthesis |
| P-902967931 | 98 | As is | 250 mg |
| P-901567832 | 95 | As is | by synthesis |
| P-887187097 | 95 | As is | by synthesis |
| P-873243917 | 95 | As is | 10 mg |
| P-854718659 | 95 | As is | in stock |
| P-888172949 | 98 | As is | by synthesis |
| P-869109352 | 95 | As is | by synthesis |
| P-892287213 | 95 | As is | unavailable |
| P-888628009 | 95 | As is | 1.504 g |
| P-893664080 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 321.369 |
| logP | 4.8417 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 47.56 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 96.0702 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 19 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
