Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2802771697
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 | 9 USD | 98 | 14 working days | Get Quote |
| 5 mg | 9 USD | 98 | 14 working days | Get Quote |
| 10 mg | 9 USD | 98 | 14 working days | Get Quote |
- 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.
-
1
MCULE-8973928579
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2802771697.sdf |
| SMILES | MCULE-2802771697.smiles |
| Standard InChI | MCULE-2802771697.inchi |
| InChIKey | MCULE-2802771697.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867656676 | 99 | As is | in stock |
| P-875824886 | 99 | As is | in stock |
| P-1275179533 | 98 | As is | in stock |
| P-1275183863 | 95 | As is | in stock |
| P-580194256 | 98 | As is | in stock |
| P-1264048479 | 99 | As is | in stock |
| P-489188750 | 97 | As is | in stock |
| P-596985669 | 99 | As is | 1.4 kg |
| P-1273460845 | 95 | As is | by resynthesis (? - ? days) |
| P-864122006 | 97 | As is | in stock |
| P-860056701 | 98 | As is | by synthesis |
| P-893237848 | 95 | As is | in stock |
| P-584604395 | 95 | As is | in stock |
| P-851278435 | 95 | As is | by synthesis |
| P-580450414 | 99 | As is | in stock |
| P-868576974 | 95 | As is | in stock |
| P-608498753 | 95 | As is | in stock |
| P-500418191 | 99 | As is | in stock |
| P-505493180 | 95 | As is | in stock |
| P-524443057 | 97 | As is | 100 mg |
| P-852534133 | N/A | As is | by synthesis |
| P-899992588 | 95 | As is | in stock |
| P-902985064 | 95 | As is | by synthesis |
| P-871076520 | 95 | As is | in stock |
| P-608271459 | 98 | As is | in stock |
| P-1263955878 | 90 | As is | in stock |
| P-1263959216 | 90 | As is | in stock |
| P-885536448 | 95 | As is | by synthesis |
| P-579711077 | 98 | As is | in stock |
| P-892287755 | 95 | As is | unavailable |
| P-869111344 | 95 | As is | 99 mg |
| P-888629301 | 95 | As is | 99 mg |
| P-873222230 | 90 | As is | in stock |
| P-611450247 | 90 | As is | in stock |
| P-867589548 | 95 | Main component | in stock |
| P-875749149 | 98 | Main component | in stock |
| P-1275142699 | 95 | Main component | in stock |
| P-1275185457 | 98 | Main component | in stock |
| P-1275180923 | 99 | Main component | in stock |
| P-903080309 | 98 | Main component | 1.9 kg |
| P-1264051301 | 95 | Main component | in stock |
| P-596984605 | 98 | Main component | 100 g |
| P-1273282552 | 95 | Main component | by resynthesis (? - ? days) |
| P-864121941 | 97 | Main component | in stock |
| P-901464443 | 95 | Main component | by synthesis |
| P-454735560 | 90 | Main component | in stock |
| P-851286672 | 95 | Main component | by synthesis |
| P-868594321 | 98 | Main component | in stock |
| P-862070495 | 98 | Main component | 1.4 kg |
| P-500418190 | 98 | Main component | in stock |
| P-870662078 | N/A | Main component | in stock |
| P-505498248 | 95 | Main component | in stock |
| P-855919144 | 97 | Main component | 25 g |
| P-608085203 | N/A | Main component | in stock |
| P-31194982 | 90 | Main component | 2 g |
| P-856043921 | 90 | Main component | 2 g |
| P-899992602 | 95 | Main component | in stock |
| P-902989411 | 95 | Main component | by synthesis |
| P-584626425 | 95 | Main component | in stock |
| P-500410842 | 98 | Main component | by synthesis |
| P-885536449 | 95 | Main component | by synthesis |
| P-19785442 | 90 | Main component | in stock |
| P-502366300 | 90 | Main component | in stock |
| P-22536728 | 90 | Main component | 199 mg |
| P-611450246 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 300.822 |
| logP | 3.492 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 41.57 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 85.7302 |
| Atoms | 45 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 25 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
