Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4710078413
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 | 8 USD | 98 | 22 working days | Get Quote |
| 5 mg | 19 USD | 98 | 22 working days | Get Quote |
| 10 mg | 24 USD | 98 | 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-4710078413.sdf |
| SMILES | MCULE-4710078413.smiles |
| Standard InChI | MCULE-4710078413.inchi |
| InChIKey | MCULE-4710078413.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867620128 | 98 | As is | in stock |
| P-875782072 | N/A | As is | in stock |
| P-590397255 | 98 | As is | in stock |
| P-903127556 | 98 | As is | 3 g |
| P-610974845 | 90 | As is | 58.32 g |
| P-606950196 | N/A | As is | in stock |
| P-489227992 | 97 | As is | in stock |
| P-596964280 | 98 | As is | 1.075 g |
| P-580193250 | 98 | As is | in stock |
| P-895935319 | 95 | As is | by resynthesis (? - ? days) |
| P-864131476 | 95 | As is | in stock |
| P-580723461 | 98 | As is | 1.998 g |
| P-851260417 | 95 | As is | by synthesis |
| P-860799256 | 98 | As is | in stock |
| P-861489068 | 95 | As is | by synthesis |
| P-579480151 | 95 | As is | in stock |
| P-675215917 | 95 | As is | in stock |
| P-596573558 | 97 | As is | 50 mg |
| P-852531235 | N/A | As is | in stock |
| P-854719029 | 95 | As is | in stock |
| P-474027683 | 95 | As is | in stock |
| P-608273013 | 98 | As is | in stock |
| P-636120852 | 90 | As is | by synthesis |
| P-491318589 | 95 | As is | by synthesis |
| P-579711312 | N/A | As is | in stock |
| P-869125187 | 95 | As is | by synthesis |
| P-892290628 | 95 | As is | unavailable |
| P-888638818 | 95 | As is | 130 mg |
| P-906768470 | 98 | As is | by synthesis |
| P-893948229 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 309.318 |
| logP | 4.0442 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 109.67 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 76.1158 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 12 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
