Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5623709142-0
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 | 79 USD | 90 | 22 working days | Get Quote |
| 5 mg | 114 USD | 90 | 22 working days | Get Quote |
| 10 mg | 124 USD | 97 | 11 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-7041975764-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5623709142-0.sdf |
| SMILES | MCULE-5623709142-0.smiles |
| Standard InChI | MCULE-5623709142-0.inchi |
| InChIKey | MCULE-5623709142-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867493866 | N/A | As is | by synthesis |
| P-901286240 | N/A | As is | in stock |
| P-869215163 | 95 | As is | in stock |
| P-851401234 | N/A | As is | by synthesis |
| P-611007726 | 97 | As is | by synthesis |
| P-4152457 | 90 | As is | 100 mg |
| P-868570668 | 97 | As is | in stock |
| P-869024372 | 95 | As is | by synthesis |
| P-873214136 | 90 | As is | in stock |
| P-860638214 | 97 | Main component | by synthesis |
| P-901196516 | N/A | Main component | by synthesis |
| P-874602600 | 97 | Main component | in stock |
| P-903143405 | 97 | Main component | 1000 mg |
| P-893498641 | 90 | Main component | 2.1 g |
| P-873294541 | 97 | Main component | 1000 mg |
| P-896029673 | 95 | Main component | in stock |
| P-605404064 | 95 | Main component | by synthesis |
| P-887163438 | 95 | Main component | by synthesis |
| P-611591988 | 90 | Main component | in stock |
| P-886895721 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 197.703 |
| logP | 3.5311 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 58.3914 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 16 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |
