Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4668386337-0
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 74 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.
-
MCULE-1623888476-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4668386337-0.sdf |
| SMILES | MCULE-4668386337-0.smiles |
| Standard InChI | MCULE-4668386337-0.inchi |
| InChIKey | MCULE-4668386337-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852151252 | N/A | As is | by synthesis |
| P-890183306 | N/A | As is | in stock |
| P-596481425 | 90 | As is | 66 mg |
| P-596453561 | 90 | As is | 66 mg |
| P-3281094 | 90 | As is | 50 mg |
| P-7846486 | 90 | As is | 5 mg |
| P-584543361 | 90 | As is | 132 mg |
| P-425357617 | 90 | As is | in stock |
| P-34870649 | 90 | As is | in stock |
| P-852417616 | N/A | As is | in stock |
| P-895342206 | 95 | As is | by synthesis |
| P-19011490 | 90 | As is | in stock |
| P-22645735 | 90 | As is | in stock |
| P-502385614 | 90 | As is | in stock |
| P-888436855 | 94 | As is | by resynthesis (? - ? days) |
| P-2567193 | 90 | As is | 756 mg |
| P-852428044 | N/A | As a main component | in stock |
| P-617605046 | 90 | As a main component | 127 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 264.363 |
| logP | 1.5082 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 44.73 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 84.1245 |
| Atoms | 43 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 24 |
| 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 |
