Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1438656098-0
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 | 78 USD | 98 | 20 working days | Get Quote |
| 5 mg | 227 USD | 98 | 20 working days | Get Quote |
| 10 mg | 383 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.
-
1
MCULE-1736609675-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1438656098-0.sdf |
| SMILES | MCULE-1438656098-0.smiles |
| Standard InChI | MCULE-1438656098-0.inchi |
| InChIKey | MCULE-1438656098-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-874604165 | N/A | As is | in stock |
| P-899938759 | N/A | As is | by synthesis |
| P-891662036 | N/A | As is | by synthesis |
| P-889795058 | 95 | As is | by synthesis |
| P-869116535 | 95 | As is | by synthesis |
| P-888632045 | 95 | As is | unavailable |
| P-867614833 | 98 | Main component | in stock |
| P-875775577 | N/A | Main component | in stock |
| P-606863630 | N/A | Main component | in stock |
| P-865915387 | 98 | Main component | 20 mg |
| P-864150184 | 95 | Main component | in stock |
| P-872868363 | 99 | Main component | in stock |
| P-860800448 | 98 | Main component | in stock |
| P-675215266 | 95 | Main component | in stock |
| P-869108381 | 95 | Main component | by synthesis |
| P-904244086 | 95 | Main component | unavailable |
| P-888627365 | 95 | Main component | 6 mg |
| P-611515294 | 90 | Main component | in stock |
| P-893944050 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 506.295 |
| logP | 5.0633 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 94.14 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 123.8028 |
| Atoms | 53 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 20 |
| Heteroatoms | 11 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 5 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
