Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9481962288
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 | 30 USD | 95 | 7 working days | Get Quote |
| 5 mg | 30 USD | 95 | 7 working days | Get Quote |
| 10 mg | 47 USD | 95 | 7 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-9481962288.sdf |
| SMILES | MCULE-9481962288.smiles |
| Standard InChI | MCULE-9481962288.inchi |
| InChIKey | MCULE-9481962288.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886611740 | 95 | As is | in stock |
| P-890157845 | N/A | As is | in stock |
| P-874624950 | 98 | As is | in stock |
| P-903150139 | 98 | As is | 500 mg |
| P-893570781 | 90 | As is | 1.193 g |
| P-901181216 | N/A | As is | in stock |
| P-865920211 | 95 | As is | 500 mg |
| P-872726479 | 98 | As is | in stock |
| P-889495486 | 95 | As is | by synthesis |
| P-901924330 | 99 | As is | 275 mg |
| P-4757557 | 90 | As is | 100 mg |
| P-887187239 | 95 | As is | by synthesis |
| P-855920036 | 97 | As is | 100 mg |
| P-854715582 | 95 | As is | in stock |
| P-878644944 | 98 | As is | in stock |
| P-873283651 | N/A | As is | in stock |
| P-869129016 | 95 | As is | by synthesis |
| P-892291770 | 95 | As is | unavailable |
| P-888641494 | 95 | As is | 202 mg |
| P-22477340 | 90 | As is | 46 mg |
| P-611520386 | 90 | As is | in stock |
| P-611499057 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 376.473 |
| logP | 6.2328 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 80.57 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 111.1621 |
| Atoms | 47 |
| Rings | 5 |
| Heavy atoms | 27 |
| Hydrogen atoms | 20 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
