Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1575231746
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 | 70 USD | 97 | 10 working days | Get Quote |
| 5 mg | 86 USD | 97 | 10 working days | Get Quote |
| 10 mg | 87 USD | 95 | 20 working days | Get Quote |
- 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-2056351796
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1575231746.sdf |
| SMILES | MCULE-1575231746.smiles |
| Standard InChI | MCULE-1575231746.inchi |
| InChIKey | MCULE-1575231746.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886557261 | 95 | As is | in stock |
| P-890145148 | 95 | As is | in stock |
| P-1264506531 | 95 | As is | 2 g |
| P-1274436128 | 90 | As is | 2 g |
| P-489144757 | 97 | As is | in stock |
| P-1271902005 | 95 | As is | 2 g |
| P-905471063 | 95 | As is | in stock |
| P-580302348 | 95 | As is | by resynthesis (? - ? days) |
| P-870656946 | N/A | As is | in stock |
| P-505502245 | 95 | As is | in stock |
| P-611398857 | 90 | As is | in stock |
| P-1271659843 | 95 | As is | in stock |
| P-580444390 | 95 | Main component | by resynthesis (? - ? days) |
| P-502566202 | 95 | Main component | by synthesis |
| P-617804798 | 90 | Main component | in stock |
| P-454407335 | 97 | Main component | 260 mg |
| P-579455579 | 97 | Main component | 5 g |
| P-454329731 | 97 | Main component | 260 mg |
| P-31138938 | 90 | Main component | unavailable |
| P-885543448 | 95 | Main component | by synthesis |
| P-611398856 | 90 | Main component | in stock |
| P-588720590 | N/A | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 163.644 |
| logP | 0.8128 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 23.47 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 46.4728 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 10 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
