Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9919244870
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 | 60 USD | 98 | 22 working days | Get Quote |
| 5 mg | 172 USD | N/A | 9 working days | Get Quote |
| 10 mg | 387 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-9919244870.sdf |
| SMILES | MCULE-9919244870.smiles |
| Standard InChI | MCULE-9919244870.inchi |
| InChIKey | MCULE-9919244870.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867645120 | 98 | As is | in stock |
| P-875812523 | N/A | As is | in stock |
| P-869316473 | 95 | As is | in stock |
| P-874656433 | 95 | As is | in stock |
| P-903171280 | 98 | As is | 100 mg |
| P-893523269 | 90 | As is | 580 mg |
| P-904976181 | 95 | As is | by synthesis |
| P-900267792 | N/A | As is | by resynthesis (? - ? days) |
| P-675064681 | 95 | As is | in stock |
| P-870646066 | N/A | As is | in stock |
| P-855920139 | 97 | As is | 5 mg |
| P-899785951 | 97 | As is | 5 mg |
| P-1263161135 | 95 | As is | in stock |
| P-889877306 | 95 | As is | by synthesis |
| P-906892023 | 98 | As is | by synthesis |
| P-611516882 | 90 | As is | in stock |
| P-611414878 | 90 | As is | in stock |
| P-886899980 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 340.368 |
| logP | 4.0186 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 86.99 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 95.2905 |
| Atoms | 45 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 20 |
| 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 |
