Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4395772963
Compound
Show structures
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-7020422655
- Component type: Main
-
1
MCULE-8295936189
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4395772963.sdf |
| SMILES | MCULE-4395772963.smiles |
| Standard InChI | MCULE-4395772963.inchi |
| InChIKey | MCULE-4395772963.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-675373110 | 90 | As is | in stock |
| P-24173352 | 95 | As is | 230 mg |
| P-622560686 | 90 | As is | by synthesis |
| P-13362385 | 92 | As is | 230 mg |
| P-903617259 | 94 | As is | by resynthesis (? - ? days) |
| P-617772033 | 90 | As is | 57 mg |
| P-3450842 | 90 | Main component | 186 mg |
| P-425222991 | 90 | Main component | in stock |
| P-12740778 | 92 | Main component | 112 mg |
| P-622653083 | 90 | Main component | by synthesis |
| P-637416778 | 90 | Main component | by synthesis |
| P-12277190 | 90 | Main component | 1.949 g |
| P-13818766 | 92 | Main component | 112 mg |
| P-18823554 | 90 | Main component | in stock |
| P-579384566 | 90 | Main component | in stock |
| P-903626209 | 94 | Main component | by resynthesis (? - ? days) |
| P-2053596 | 90 | Main component | 30 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 330.381 |
| logP | 0.1869 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 114.85 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 93.7166 |
| Atoms | 46 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 22 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
