Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7697828618-0
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 | 12 USD | N/A | 9 working days | Get Quote |
| 5 mg | 17 USD | N/A | 9 working days | Get Quote |
| 10 mg | 17 USD | N/A | 9 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.
-
1
MCULE-7693147030-0
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7697828618-0.sdf |
| SMILES | MCULE-7697828618-0.smiles |
| Standard InChI | MCULE-7697828618-0.inchi |
| InChIKey | MCULE-7697828618-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875811781 | N/A | As is | in stock |
| P-869332612 | 95 | As is | in stock |
| P-903172081 | 98 | As is | 15 g |
| P-1264055753 | 95 | As is | in stock |
| P-851942410 | N/A | As is | in stock |
| P-619180838 | 98 | As is | 15 g |
| P-872728644 | 98 | As is | in stock |
| P-864144694 | 95 | As is | in stock |
| P-860054806 | 95 | As is | by synthesis |
| P-616203406 | 98 | As is | 7.4 g |
| P-893237109 | 95 | As is | in stock |
| P-851203860 | 98 | As is | in stock |
| P-868602601 | 98 | As is | in stock |
| P-868662490 | 95 | As is | in stock |
| P-675219508 | 95 | As is | in stock |
| P-855920350 | 97 | As is | 1000 mg |
| P-619671487 | 98 | As is | in stock |
| P-885539931 | 95 | As is | by synthesis |
| P-617401946 | N/A | As is | in stock |
| P-896086558 | 80 | As is | unavailable |
| P-892237902 | 95 | As is | by synthesis |
| P-869176312 | 95 | As is | in stock |
| P-892292851 | 95 | As is | unavailable |
| P-892327994 | 95 | As is | 168 mg |
| P-906906452 | 98 | As is | in stock |
| P-855061238 | 90 | As is | in stock |
| P-893965325 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 396.391 |
| logP | 4.2328 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 112.86 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 92.7074 |
| Atoms | 44 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 17 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 1 |
| 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 |
