Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6223651889
Compound
Show structures
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 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.
| Name | File |
|---|---|
| SDF | MCULE-6223651889.sdf |
| SMILES | MCULE-6223651889.smiles |
| Standard InChI | MCULE-6223651889.inchi |
| InChIKey | MCULE-6223651889.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852139614 | 95 | As is | by synthesis |
| P-889953597 | N/A | As is | by synthesis |
| P-904532376 | 95 | As is | in stock |
| P-851791685 | N/A | As is | by synthesis |
| P-901362471 | 95 | As is | by synthesis |
| P-591084755 | 95 | As is | by synthesis |
| P-454733765 | 90 | As is | in stock |
| P-3814201 | 90 | As is | 32 mg |
| P-436473534 | 95 | As is | in stock |
| P-861537975 | 95 | As is | by synthesis |
| P-502447150 | 95 | As is | by synthesis |
| P-503087571 | 90 | As is | by synthesis |
| P-502614542 | 90 | As is | in stock |
| P-492214816 | 95 | As is | in stock |
| P-855977737 | 95 | As is | 5 g |
| P-852533422 | N/A | As is | in stock |
| P-869029648 | 95 | As is | by synthesis |
| P-520161283 | 90 | As is | in stock |
| P-896198885 | 90 | As is | unavailable |
| P-502350845 | 90 | As is | in stock |
| P-22536715 | 90 | As is | 200 mg |
| P-855325845 | 90 | As is | in stock |
| P-25728667 | 90 | As is | 16 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 396.487 |
| logP | 4.794 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 116.58 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 111.0267 |
| Atoms | 43 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 16 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| 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 |
