Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2714138894
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 | 34 USD | 98 | 20 working days | Get Quote |
| 5 mg | 36 USD | 98 | 16 working days | Get Quote |
| 10 mg | 58 USD | 98 | 16 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-2714138894.sdf |
| SMILES | MCULE-2714138894.smiles |
| Standard InChI | MCULE-2714138894.inchi |
| InChIKey | MCULE-2714138894.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679852 | 90 | As is | in stock |
| P-875857319 | N/A | As is | in stock |
| P-869196039 | 95 | As is | in stock |
| P-903311704 | 95 | As is | 200 mg |
| P-851925589 | N/A | As is | in stock |
| P-888827113 | 98 | As is | 200 mg |
| P-901340753 | 95 | As is | by synthesis |
| P-613859413 | 98 | As is | 40 mg |
| P-901431928 | 95 | As is | by synthesis |
| P-851314963 | 95 | As is | by synthesis |
| P-860800314 | 98 | As is | in stock |
| P-861381483 | 95 | As is | by synthesis |
| P-608494847 | 95 | As is | in stock |
| P-868079111 | 95 | As is | in stock |
| P-873248289 | 97 | As is | 50 mg |
| P-854713174 | 95 | As is | in stock |
| P-584616753 | 95 | As is | in stock |
| P-619671903 | 98 | As is | in stock |
| P-906797820 | 98 | As is | by synthesis |
| P-893944014 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 456.368 |
| logP | 4.2987 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 65.87 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 132.1047 |
| Atoms | 54 |
| Rings | 5 |
| Heavy atoms | 31 |
| Hydrogen atoms | 23 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
