Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3415352484-0
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 | 6 USD | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 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.
| Name | File |
|---|---|
| SDF | MCULE-3415352484-0.sdf |
| SMILES | MCULE-3415352484-0.smiles |
| Standard InChI | MCULE-3415352484-0.inchi |
| InChIKey | MCULE-3415352484-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875708942 | N/A | As is | in stock |
| P-869182486 | 95 | As is | in stock |
| P-869309174 | 99 | As is | in stock |
| P-505399378 | 98 | As is | in stock |
| P-903035036 | 97 | As is | 4.5 kg |
| P-851926292 | N/A | As is | in stock |
| P-489153504 | 97 | As is | in stock |
| P-597011717 | 97 | As is | 2 kg |
| P-864164586 | 95 | As is | in stock |
| P-868613422 | 97 | As is | in stock |
| P-580418661 | 95 | As is | by resynthesis (? - ? days) |
| P-905319744 | 95 | As is | 155.099 g |
| P-862030807 | 95 | As is | 204.099 g |
| P-856040982 | 90 | As is | 10 g |
| P-31274611 | 90 | As is | 10 g |
| P-899991953 | 95 | As is | by synthesis |
| P-904073540 | 95 | As is | in stock |
| P-901177373 | 90 | As is | 50 mg |
| P-889866677 | 95 | As is | by synthesis |
| P-869172781 | 95 | As is | by synthesis |
| P-892309490 | 95 | As is | in stock |
| P-888664034 | 95 | As is | unavailable |
| P-502368364 | 90 | As is | in stock |
| P-906761666 | 98 | As is | by synthesis |
| P-855009345 | 90 | As is | in stock |
| P-667019152 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 216.274 |
| logP | 2.0631 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 10 |
| PSA | 52.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 57.561 |
| Atoms | 35 |
| Rings | 0 |
| Heavy atoms | 15 |
| Hydrogen atoms | 20 |
| 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 |
