Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8118283935-0
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 | 14 USD | 95 | 20 working days | Get Quote |
| 5 mg | 14 USD | 95 | 20 working days | Get Quote |
| 10 mg | 14 USD | 95 | 20 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-8118283935-0.sdf |
| SMILES | MCULE-8118283935-0.smiles |
| Standard InChI | MCULE-8118283935-0.inchi |
| InChIKey | MCULE-8118283935-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-612876764 | N/A | As is | by synthesis |
| P-867509522 | N/A | As is | by synthesis |
| P-875718750 | N/A | As is | in stock |
| P-903047268 | 95 | As is | 25 g |
| P-851564399 | N/A | As is | by synthesis |
| P-489219641 | 97 | As is | in stock |
| P-596944495 | 95 | As is | 500 g |
| P-869990412 | 90 | As is | 1000 mg |
| P-904961946 | 95 | As is | in stock |
| P-605402405 | 95 | As is | by synthesis |
| P-851265814 | 95 | As is | by synthesis |
| P-861364667 | 95 | As is | by synthesis |
| P-870662295 | N/A | As is | in stock |
| P-505511887 | 95 | As is | in stock |
| P-856005839 | 98 | As is | 100 mg |
| P-524188595 | 95 | As is | 5 g |
| P-524164423 | 98 | As is | 5 g |
| P-608084441 | 98 | As is | unavailable |
| P-580488789 | 97 | As is | by synthesis |
| P-852383988 | N/A | As is | in stock |
| P-895264196 | 95 | As is | by synthesis |
| P-500374953 | 98 | As is | by synthesis |
| P-885539951 | 95 | As is | by synthesis |
| P-19098076 | 90 | As is | in stock |
| P-22820060 | 94 | As is | by resynthesis (? - ? days) |
| P-906878360 | 95 | As is | by synthesis |
| P-3244809 | 90 | As is | 2.815 g |
| P-825153 | 90 | As is | 2.815 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 214.244 |
| logP | 0.2256 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 108.93 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 54.9492 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
