Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2962663844
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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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-2962663844.sdf |
| SMILES | MCULE-2962663844.smiles |
| Standard InChI | MCULE-2962663844.inchi |
| InChIKey | MCULE-2962663844.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867659430 | 98 | As is | in stock |
| P-875827829 | N/A | As is | in stock |
| P-869189730 | 95 | As is | in stock |
| P-505388667 | 98 | As is | in stock |
| P-903202325 | 98 | As is | 1.5 kg |
| P-1264053866 | 95 | As is | in stock |
| P-606899145 | N/A | As is | in stock |
| P-596985717 | 98 | As is | 500 g |
| P-895929992 | 95 | As is | by resynthesis (? - ? days) |
| P-864113711 | 99 | As is | in stock |
| P-860055349 | 98 | As is | by synthesis |
| P-901454334 | 95 | As is | by synthesis |
| P-454735273 | 90 | As is | in stock |
| P-452661063 | 98 | As is | in stock |
| P-436474162 | 95 | As is | in stock |
| P-34883708 | 90 | As is | in stock |
| P-580452420 | 99 | As is | in stock |
| P-868618199 | 98 | As is | in stock |
| P-868661716 | 95 | As is | in stock |
| P-505628199 | 98 | As is | in stock |
| P-870662913 | 93 | As is | in stock |
| P-870663250 | 98 | As is | in stock |
| P-505491633 | 95 | As is | in stock |
| P-854062898 | 90 | As is | in stock |
| P-856009025 | 95 | As is | 100 mg |
| P-579633293 | 99 | As is | by resynthesis (? - ? days) |
| P-856016510 | 90 | As is | 500 mg |
| P-852533974 | N/A | As is | in stock |
| P-896630117 | 95 | As is | by synthesis |
| P-854691406 | 95 | As is | in stock |
| P-868099540 | 92 | As is | in stock |
| P-500371426 | 98 | As is | by synthesis |
| P-885537184 | 95 | As is | by synthesis |
| P-892221026 | 95 | As is | by synthesis |
| P-869175689 | 95 | As is | in stock |
| P-892288282 | 95 | As is | unavailable |
| P-892315236 | 95 | As is | 150 mg |
| P-502374713 | 90 | As is | in stock |
| P-596714216 | 90 | As is | 1000 mg |
| P-611447617 | 90 | As is | in stock |
| P-666970142 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 293.401 |
| logP | 4.1585 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 11 |
| PSA | 58.56 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 86.1877 |
| Atoms | 48 |
| Rings | 1 |
| Heavy atoms | 21 |
| Hydrogen atoms | 27 |
| 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 |
