Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2694576677
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 | 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-7818396115
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2694576677.sdf |
| SMILES | MCULE-2694576677.smiles |
| Standard InChI | MCULE-2694576677.inchi |
| InChIKey | MCULE-2694576677.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-851731647 | N/A | As is | by synthesis |
| P-901350350 | 95 | As is | by synthesis |
| P-591051845 | 95 | As is | by synthesis |
| P-584596146 | 95 | As is | in stock |
| P-889032522 | 98 | As is | in stock |
| P-488551306 | 90 | As is | in stock |
| P-24435532 | 95 | As is | 300 mg |
| P-852406180 | N/A | As is | in stock |
| P-454372309 | 92 | As is | in stock |
| P-864663888 | 92 | As is | 300 mg |
| P-867650110 | 96 | Main component | in stock |
| P-901277500 | N/A | Main component | in stock |
| P-851562718 | N/A | Main component | by synthesis |
| P-589662525 | 95 | Main component | by resynthesis (? - ? days) |
| P-590889509 | 96 | Main component | by synthesis |
| P-619933726 | 90 | Main component | by synthesis |
| P-868637876 | 96 | Main component | in stock |
| P-596595612 | 90 | Main component | 5 g |
| P-869021930 | 95 | Main component | by synthesis |
| P-885529827 | 95 | Main component | by synthesis |
| P-23894896 | 90 | Main component | in stock |
| P-873219531 | 90 | Main component | in stock |
| P-855218729 | 90 | Main component | in stock |
| P-1403300 | 90 | Main component | 170 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 225.673 |
| logP | 3.006 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 64.94 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 59.3384 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
