Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6578012434
Compound
Show structures
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 | 7 USD | 98 | 22 working days | Get Quote |
| 5 mg | 13 USD | 98 | 22 working days | Get Quote |
| 10 mg | 13 USD | 98 | 22 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-6578012434.sdf |
| SMILES | MCULE-6578012434.smiles |
| Standard InChI | MCULE-6578012434.inchi |
| InChIKey | MCULE-6578012434.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867612060 | 98 | As is | in stock |
| P-875771699 | N/A | As is | in stock |
| P-903112780 | 99 | As is | 5 g |
| P-596962794 | 99 | As is | 20 g |
| P-872724829 | 98 | As is | in stock |
| P-870662535 | N/A | As is | in stock |
| P-890851666 | 90 | As is | in stock |
| P-474024552 | 95 | As is | in stock |
| P-888171141 | 98 | As is | by synthesis |
| P-881188621 | 90 | As is | 50 mg |
| P-885523450 | 95 | As is | by synthesis |
| P-23969742 | 90 | As is | in stock |
| P-906877373 | 99 | As is | by synthesis |
| P-2243680 | 90 | As is | 115 mg |
| P-893736955 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 405.487 |
| logP | 2.2643 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 13 |
| PSA | 132.96 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 112.6557 |
| Atoms | 60 |
| Rings | 2 |
| Heavy atoms | 29 |
| Hydrogen atoms | 31 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
