Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1962765050
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 | 32 USD | 95 | 12 working days | Get Quote |
| 5 mg | 32 USD | 95 | 12 working days | Get Quote |
| 10 mg | 32 USD | 95 | 12 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-1962765050.sdf |
| SMILES | MCULE-1962765050.smiles |
| Standard InChI | MCULE-1962765050.inchi |
| InChIKey | MCULE-1962765050.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901261016 | N/A | As is | in stock |
| P-613847903 | 95 | As is | in stock |
| P-903095484 | 95 | As is | 1000 mg |
| P-851851712 | N/A | As is | by synthesis |
| P-896034430 | 95 | As is | by synthesis |
| P-591011403 | 95 | As is | by synthesis |
| P-454717379 | 90 | As is | in stock |
| P-436454697 | 95 | As is | 10 g |
| P-20005061 | 90 | As is | in stock |
| P-868634456 | 95 | As is | in stock |
| P-34782546 | 90 | As is | in stock |
| P-502666662 | 90 | As is | in stock |
| P-492242329 | 95 | As is | in stock |
| P-596572396 | 95 | As is | 1000 mg |
| P-615637117 | 95 | As is | in stock |
| P-852408892 | N/A | As is | in stock |
| P-895679961 | 95 | As is | by synthesis |
| P-12472610 | 90 | As is | 10 mg |
| P-18984835 | 90 | As is | in stock |
| P-873220370 | 90 | As is | in stock |
| P-888431119 | 94 | As is | by resynthesis (? - ? days) |
| P-611610750 | 90 | As is | in stock |
| P-615421137 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 229.059 |
| logP | 2.91858 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 52.89 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 55.3307 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
