Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7890141626
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 | 98 | 20 working days | Get Quote |
| 5 mg | 19 USD | 98 | 20 working days | Get Quote |
| 10 mg | 29 USD | 98 | 20 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-7890141626.sdf |
| SMILES | MCULE-7890141626.smiles |
| Standard InChI | MCULE-7890141626.inchi |
| InChIKey | MCULE-7890141626.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867614828 | 98 | As is | in stock |
| P-875775572 | N/A | As is | in stock |
| P-869371162 | 95 | As is | in stock |
| P-903117622 | 98 | As is | 200 mg |
| P-610974890 | 90 | As is | 19.878 g |
| P-606933230 | N/A | As is | in stock |
| P-596963424 | 98 | As is | 300 mg |
| P-889561357 | 98 | As is | in stock |
| P-868545195 | 99 | As is | in stock |
| P-584627654 | 98 | As is | 1.4 g |
| P-901428885 | 95 | As is | by synthesis |
| P-878235658 | 95 | As is | by synthesis |
| P-861366149 | 95 | As is | by synthesis |
| P-579482058 | 95 | As is | in stock |
| P-596561910 | 97 | As is | 50 mg |
| P-1263155292 | 95 | As is | by synthesis |
| P-854721598 | 95 | As is | in stock |
| P-584615142 | 95 | As is | in stock |
| P-619671871 | 98 | As is | in stock |
| P-617404016 | N/A | As is | in stock |
| P-855065726 | 90 | As is | in stock |
| P-893990616 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 330.421 |
| logP | 3.1276 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 65.56 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 99.338 |
| Atoms | 50 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 26 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
