Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2040048738
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 | 19 USD | 90 | 14 working days | Get Quote |
| 5 mg | 28 USD | 90 | 14 working days | Get Quote |
| 10 mg | 39 USD | 90 | 14 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-2935047101
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2040048738.sdf |
| SMILES | MCULE-2040048738.smiles |
| Standard InChI | MCULE-2040048738.inchi |
| InChIKey | MCULE-2040048738.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-675079379 | 90 | As is | in stock |
| P-867427966 | 90 | Main component | by synthesis |
| P-1265046629 | 90 | Main component | by synthesis |
| P-904535473 | 95 | Main component | by resynthesis (? - ? days) |
| P-1263671811 | N/A | Main component | by synthesis |
| P-596368936 | 90 | Main component | 12 mg |
| P-1263324984 | 90 | Main component | by synthesis |
| P-4494383 | 90 | Main component | 100 mg |
| P-19880059 | 90 | Main component | in stock |
| P-34744771 | 90 | Main component | by synthesis |
| P-502528133 | 95 | Main component | by synthesis |
| P-502619618 | 90 | Main component | in stock |
| P-454308486 | 90 | Main component | 100 mg |
| P-31191677 | 90 | Main component | 500 mg |
| P-14177448 | 90 | Main component | 3 mg |
| P-35178229 | 90 | Main component | in stock |
| P-864020805 | 95 | Main component | by synthesis |
| P-579728797 | 90 | Main component | in stock |
| P-453946005 | 90 | Main component | 10 mg |
| P-22450983 | 90 | Main component | 151 mg |
| P-1272935539 | 94 | Main component | by resynthesis (? - ? days) |
| P-437527 | 90 | Main component | 100 mg |
| P-31221900 | 90 | Main component as a main component | 2 g |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 440.898 |
| logP | 2.9587 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 123.6 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 115.0406 |
| Atoms | 50 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 21 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
