Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5892163270-0
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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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.
| Name | File |
|---|---|
| SDF | MCULE-5892163270-0.sdf |
| SMILES | MCULE-5892163270-0.smiles |
| Standard InChI | MCULE-5892163270-0.inchi |
| InChIKey | MCULE-5892163270-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852078147 | 95 | As is | by synthesis |
| P-889907937 | N/A | As is | by synthesis |
| P-613846254 | 95 | As is | in stock |
| P-903084863 | 95 | As is | 5 g |
| P-851783486 | N/A | As is | by synthesis |
| P-889801552 | 95 | As is | by synthesis |
| P-590960329 | 95 | As is | by synthesis |
| P-454703004 | 90 | As is | in stock |
| P-436454639 | 95 | As is | 10 g |
| P-20023710 | 90 | As is | in stock |
| P-861532670 | 95 | As is | by synthesis |
| P-34828660 | 90 | As is | in stock |
| P-502445929 | 95 | As is | by synthesis |
| P-504267746 | 90 | As is | by synthesis |
| P-502678254 | 90 | As is | in stock |
| P-492222344 | 95 | As is | in stock |
| P-855972360 | 95 | As is | 10 g |
| P-852408834 | N/A | As is | in stock |
| P-854842792 | 95 | As is | by synthesis |
| P-12961178 | 90 | As is | 813 mg |
| P-492285930 | 95 | As is | 813 mg |
| P-34139641 | 90 | As is | in stock |
| P-22808052 | 90 | As is | in stock |
| P-502338595 | 90 | As is | in stock |
| P-888431393 | 94 | As is | by resynthesis (? - ? days) |
| P-611370277 | 90 | As is | in stock |
| P-893813438 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 229.059 |
| logP | 2.91858 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 52.89 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 55.3307 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
