Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4310803796-1
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 | 8 USD | 97 | 22 working days | Get Quote |
| 5 mg | 8 USD | 97 | 22 working days | Get Quote |
| 10 mg | 8 USD | 97 | 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-4310803796-1.sdf |
| SMILES | MCULE-4310803796-1.smiles |
| Standard InChI | MCULE-4310803796-1.inchi |
| InChIKey | MCULE-4310803796-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867638554 | 97 | As is | in stock |
| P-875803938 | N/A | As is | in stock |
| P-869193773 | 95 | As is | in stock |
| P-579761809 | 98 | As is | in stock |
| P-903161079 | 99 | As is | 700 g |
| P-606838946 | N/A | As is | in stock |
| P-596968266 | 97 | As is | 1000 g |
| P-864153735 | 95 | As is | in stock |
| P-580698545 | 97 | As is | 58.6 g |
| P-454712061 | 90 | As is | in stock |
| P-579794981 | 95 | As is | in stock |
| P-436460503 | 95 | As is | 5 g |
| P-580450870 | 98 | As is | in stock |
| P-868578049 | 97 | As is | in stock |
| P-579481251 | 95 | As is | in stock |
| P-580407127 | 95 | As is | by resynthesis (? - ? days) |
| P-861971514 | 98 | As is | 52.766 g |
| P-905314627 | 98 | As is | 3 g |
| P-870660830 | 98 | As is | in stock |
| P-492242724 | 95 | As is | in stock |
| P-856009757 | 97 | As is | 249 mg |
| P-856018504 | 90 | As is | 500 mg |
| P-612224277 | 90 | As is | 88 mg |
| P-852531340 | N/A | As is | in stock |
| P-899992766 | 95 | As is | in stock |
| P-854692517 | 95 | As is | in stock |
| P-584620442 | 95 | As is | in stock |
| P-500401867 | 95 | As is | by synthesis |
| P-859981031 | 95 | As is | by synthesis |
| P-424841433 | 90 | As is | in stock |
| P-579712062 | N/A | As is | in stock |
| P-453913332 | 90 | As is | 180 mg |
| P-904257941 | 95 | As is | in stock |
| P-904221399 | 95 | As is | by synthesis |
| P-904251765 | 95 | As is | unavailable |
| P-904238234 | 95 | As is | 1.544 g |
| P-502329084 | 90 | As is | in stock |
| P-33162288 | 90 | As is | 1000 mg |
| P-906904114 | 99 | As is | in stock |
| P-25706596 | 90 | As is | 1.97 g |
| P-464681654 | 90 | As is | 1.97 g |
| P-893965468 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 189.167 |
| logP | 1.6386 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 70.42 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 50.7253 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
