Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6942707513-0
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 | 98 | 22 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 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-6942707513-0.sdf |
| SMILES | MCULE-6942707513-0.smiles |
| Standard InChI | MCULE-6942707513-0.inchi |
| InChIKey | MCULE-6942707513-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867570975 | 98 | As is | in stock |
| P-875731406 | N/A | As is | in stock |
| P-869195695 | 95 | As is | in stock |
| P-535624457 | 99 | As is | in stock |
| P-505393130 | 98 | As is | in stock |
| P-903060143 | 98 | As is | 600 g |
| P-606848025 | N/A | As is | in stock |
| P-489156558 | 97 | As is | in stock |
| P-596949414 | 98 | As is | 600 g |
| P-580194992 | 98 | As is | in stock |
| P-864138552 | 97 | As is | in stock |
| P-580705382 | 98 | As is | 238.5 g |
| P-901445718 | 95 | As is | by synthesis |
| P-893237905 | 95 | As is | in stock |
| P-851268241 | 95 | As is | by synthesis |
| P-868594958 | 98 | As is | in stock |
| P-608219297 | 98 | As is | in stock |
| P-505498077 | 95 | As is | in stock |
| P-524443335 | 97 | As is | 100 mg |
| P-31194975 | 90 | As is | 500 mg |
| P-852426696 | N/A | As is | in stock |
| P-35208987 | 90 | As is | 6.243 kg |
| P-854718324 | 95 | As is | in stock |
| P-901577638 | 95 | As is | in stock |
| P-474027461 | 95 | As is | in stock |
| P-608274441 | 98 | As is | in stock |
| P-500377542 | 98 | As is | by synthesis |
| P-1263956273 | 90 | As is | in stock |
| P-885539510 | 95 | As is | by synthesis |
| P-519880499 | 90 | As is | in stock |
| P-579710631 | N/A | As is | in stock |
| P-869109698 | 95 | As is | by synthesis |
| P-892287340 | 95 | As is | unavailable |
| P-888628231 | 95 | As is | 204 mg |
| P-906768121 | 98 | As is | by synthesis |
| P-611432465 | 90 | As is | in stock |
| P-2868133 | 90 | As is | 19 mg |
| P-893964922 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 307.411 |
| logP | 4.9483 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 44.56 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 96.925 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 17 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
