Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9597538278
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 | 107 USD | 98 | 22 working days | Get Quote |
| 5 mg | 155 USD | 99 | 15 working days | Get Quote |
| 10 mg | 225 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-9597538278.sdf |
| SMILES | MCULE-9597538278.smiles |
| Standard InChI | MCULE-9597538278.inchi |
| InChIKey | MCULE-9597538278.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679558 | 98 | As is | in stock |
| P-875857062 | N/A | As is | in stock |
| P-892785171 | 95 | As is | in stock |
| P-903309907 | 99 | As is | 400 mg |
| P-893534705 | 90 | As is | 2.836 g |
| P-851938534 | N/A | As is | in stock |
| P-888827083 | 98 | As is | 400 mg |
| P-889779599 | 95 | As is | in stock |
| P-868955848 | 99 | As is | 400 mg |
| P-886856723 | 95 | As is | by synthesis |
| P-861286975 | 98 | As is | in stock |
| P-861380637 | 95 | As is | by synthesis |
| P-868658598 | 95 | As is | in stock |
| P-889440498 | N/A | As is | 495 mg |
| P-854712445 | 95 | As is | in stock |
| P-896072795 | 95 | As is | in stock |
| P-888170442 | 98 | As is | by synthesis |
| P-869121226 | 95 | As is | by synthesis |
| P-892289731 | 95 | As is | unavailable |
| P-888635902 | 95 | As is | 135 mg |
| P-906799970 | 99 | As is | by synthesis |
| P-611508306 | 90 | As is | in stock |
| P-868507925 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 869.023 |
| logP | 3.7922 |
| H-bond acceptors | 18 |
| H-bond donors | 4 |
| Rotatable bonds | 24 |
| PSA | 277.17 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 233.5538 |
| Atoms | 112 |
| Rings | 6 |
| Heavy atoms | 60 |
| Hydrogen atoms | 52 |
| Heteroatoms | 20 |
| N/O atoms | 18 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
