Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8612315110-0
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 | 36 USD | 90 | 26 working days | Get Quote |
| 5 mg | 36 USD | 90 | 26 working days | Get Quote |
| 10 mg | 41 USD | 90 | 26 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-8612315110-0.sdf |
| SMILES | MCULE-8612315110-0.smiles |
| Standard InChI | MCULE-8612315110-0.inchi |
| InChIKey | MCULE-8612315110-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867633123 | 95 | As is | in stock |
| P-875797270 | N/A | As is | in stock |
| P-903151195 | 95 | As is | 2.5 g |
| P-864135418 | 95 | As is | in stock |
| P-619930380 | 90 | As is | by synthesis |
| P-3496119 | 90 | As is | 1.167 g |
| P-425229097 | 90 | As is | in stock |
| P-19992263 | 90 | As is | in stock |
| P-34757063 | 90 | As is | in stock |
| P-502796641 | 90 | As is | in stock |
| P-454323481 | 90 | As is | 89 mg |
| P-615648102 | 95 | As is | in stock |
| P-31195816 | 90 | As is | 200 mg |
| P-852563324 | N/A | As is | in stock |
| P-854773100 | 95 | As is | by synthesis |
| P-18847942 | 90 | As is | in stock |
| P-453943192 | 90 | As is | 1 mg |
| P-22776239 | 90 | As is | in stock |
| P-888485241 | 94 | As is | by resynthesis (? - ? days) |
| P-906895803 | 95 | As is | by synthesis |
| P-3245642 | 90 | As is | 663 mg |
| P-615422141 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 199.272 |
| logP | 2.25 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 54.55 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 52.7877 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
