Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1574445963
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 | 21 USD | 95 | 14 working days | Get Quote |
| 5 mg | 21 USD | 95 | 14 working days | Get Quote |
| 10 mg | 21 USD | 95 | 14 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.
-
MCULE-4362237304
- Component type: Main
-
MCULE-7206646883
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1574445963.sdf |
| SMILES | MCULE-1574445963.smiles |
| Standard InChI | MCULE-1574445963.inchi |
| InChIKey | MCULE-1574445963.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903035287 | 95 | As is | 3 g |
| P-893482078 | 90 | As is | 7.724 g |
| P-901920053 | 99 | As is | 2.769 g |
| P-851306337 | 95 | As is | by synthesis |
| P-1263255653 | 95 | As is | by synthesis |
| P-900265971 | 95 | As is | in stock |
| P-500241941 | N/A | As is | in stock |
| P-895189566 | 95 | As is | by synthesis |
| P-1263158396 | 95 | As is | in stock |
| P-584614006 | 95 | As is | in stock |
| P-878644371 | 98 | As is | in stock |
| P-903057636 | 98 | As a main component | 50 mg |
| P-893618809 | 90 | As a main component | 48.492 g |
| P-606956097 | 99 | As a main component | 1.3 g |
| P-861350018 | 95 | As a main component | by synthesis |
| P-579481394 | 95 | As a main component | in stock |
| P-901408721 | 98 | As a main component | 500 mg |
| P-904058436 | 95 | As a main component | by synthesis |
| P-854716045 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 510.621 |
| logP | 4.6319 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 13 |
| PSA | 88.54 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 145.3128 |
| Atoms | 75 |
| Rings | 4 |
| Heavy atoms | 37 |
| Hydrogen atoms | 38 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
