Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8256152987-0
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 | 7 USD | 98 | 14 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.
-
MCULE-5492961445-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8256152987-0.sdf |
| SMILES | MCULE-8256152987-0.smiles |
| Standard InChI | MCULE-8256152987-0.inchi |
| InChIKey | MCULE-8256152987-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-597026479 | 95 | As is | in stock |
| P-903055504 | 98 | As is | 947.8 g |
| P-905487000 | 97 | As is | 1000 g |
| P-893576297 | 90 | As is | 417.055 kg |
| P-579782704 | 95 | As is | by resynthesis (? - ? days) |
| P-580709896 | 97 | As is | 1.681 kg |
| P-905499143 | N/A | As is | in stock |
| P-851306013 | 95 | As is | by synthesis |
| P-868645968 | 98 | As is | in stock |
| P-905333801 | 98 | As is | 125 g |
| P-861969134 | 98 | As is | 7.27274 kg |
| P-493675347 | N/A | As is | in stock |
| P-852410811 | N/A | As is | in stock |
| P-905500436 | N/A | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 353.410 |
| logP | 4.5594 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 75.63 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 99.5925 |
| Atoms | 49 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 23 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
