Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6809739994-0
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 | 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-6809739994-0.sdf |
| SMILES | MCULE-6809739994-0.smiles |
| Standard InChI | MCULE-6809739994-0.inchi |
| InChIKey | MCULE-6809739994-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892978608 | N/A | As is | by synthesis |
| P-874601943 | 97 | As is | in stock |
| P-904523163 | 95 | As is | in stock |
| P-15148024 | 90 | As is | 28 mg |
| P-315382 | 90 | As is | 371 mg |
| P-34722075 | 90 | As is | by synthesis |
| P-502455122 | 95 | As is | by synthesis |
| P-503825962 | 90 | As is | by synthesis |
| P-502715071 | 90 | As is | in stock |
| P-580042228 | 90 | As is | in stock |
| P-492214185 | 95 | As is | in stock |
| P-563679984 | 95 | As is | 500 mg |
| P-854900063 | 95 | As is | by synthesis |
| P-856064210 | 95 | As is | in stock |
| P-519818235 | 90 | As is | in stock |
| P-502350343 | 90 | As is | in stock |
| P-22528378 | 90 | As is | 35 mg |
| P-2140935 | 90 | As is | 132 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 230.266 |
| logP | 1.5921 |
| H-bond acceptors | 5 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 82.94 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 68.1565 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
