Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9080712110
Compound
Show structures
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 | 22 USD | 98 | 20 working days | Get Quote |
| 5 mg | 22 USD | 98 | 20 working days | Get Quote |
| 10 mg | 22 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-9080712110.sdf |
| SMILES | MCULE-9080712110.smiles |
| Standard InChI | MCULE-9080712110.inchi |
| InChIKey | MCULE-9080712110.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867572936 | 99 | As is | in stock |
| P-875733686 | N/A | As is | in stock |
| P-588246426 | 98 | As is | in stock |
| P-903063504 | 98 | As is | 2 g |
| P-893513871 | 90 | As is | 7.798 g |
| P-619178970 | 98 | As is | 750 mg |
| P-580195822 | 98 | As is | in stock |
| P-889550399 | 95 | As is | in stock |
| P-900155283 | 95 | As is | in stock |
| P-893218742 | 95 | As is | in stock |
| P-893221652 | 95 | As is | in stock |
| P-868361685 | 95 | As is | by synthesis |
| P-580450180 | 99 | As is | in stock |
| P-887188301 | 95 | As is | by synthesis |
| P-868658628 | 95 | As is | in stock |
| P-870652186 | N/A | As is | in stock |
| P-868078928 | 95 | As is | in stock |
| P-492243242 | 95 | As is | in stock |
| P-524443820 | 97 | As is | 790 mg |
| P-31194402 | 90 | As is | 200 mg |
| P-896628446 | 95 | As is | by synthesis |
| P-854713734 | 95 | As is | in stock |
| P-584615157 | 95 | As is | in stock |
| P-608276636 | 98 | As is | in stock |
| P-650815886 | 90 | As is | by synthesis |
| P-869115723 | 95 | As is | by synthesis |
| P-892288111 | 95 | As is | unavailable |
| P-888631508 | 95 | As is | 141 mg |
| P-906905064 | 98 | As is | in stock |
| P-611485510 | 90 | As is | in stock |
| P-854971888 | 90 | As is | in stock |
| P-886934919 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 458.569 |
| logP | 5.3622 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 42.32 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 139.2637 |
| Atoms | 65 |
| Rings | 5 |
| Heavy atoms | 34 |
| Hydrogen atoms | 31 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
