Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2947427331
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 | 44 USD | 95 | 7 working days | Get Quote |
| 5 mg | 131 USD | 95 | 7 working days | Get Quote |
| 10 mg | 190 USD | 95 | 7 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-2947427331.sdf |
| SMILES | MCULE-2947427331.smiles |
| Standard InChI | MCULE-2947427331.inchi |
| InChIKey | MCULE-2947427331.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679847 | 98 | As is | in stock |
| P-875857314 | N/A | As is | in stock |
| P-892786248 | 95 | As is | in stock |
| P-903310862 | N/A | As is | 1000 mg |
| P-893584297 | 90 | As is | 4.651 g |
| P-888731023 | N/A | As is | in stock |
| P-895106182 | N/A | As is | 250 mg |
| P-896037626 | 95 | As is | by synthesis |
| P-890241807 | 98 | As is | 245 mg |
| P-901524375 | 95 | As is | by synthesis |
| P-871212404 | 95 | As is | by synthesis |
| P-887186954 | 95 | As is | by synthesis |
| P-873246119 | 97 | As is | 10 mg |
| P-854721410 | 95 | As is | in stock |
| P-875884541 | 95 | As is | in stock |
| P-619673390 | 98 | As is | in stock |
| P-617404332 | N/A | As is | in stock |
| P-594274909 | 95 | As is | by synthesis |
| P-892296261 | 95 | As is | unavailable |
| P-888657021 | 95 | As is | 150 mg |
| P-868508089 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 396.439 |
| logP | 3.77 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 96.81 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 110.0852 |
| Atoms | 53 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 24 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
