Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1506513408
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 | 51 USD | 95 | 7 working days | Get Quote |
| 5 mg | 68 USD | 98 | 22 working days | Get Quote |
| 10 mg | 95 USD | N/A | 9 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-1506513408.sdf |
| SMILES | MCULE-1506513408.smiles |
| Standard InChI | MCULE-1506513408.inchi |
| InChIKey | MCULE-1506513408.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867644122 | 98 | As is | in stock |
| P-590358749 | 98 | As is | in stock |
| P-1264054386 | 95 | As is | in stock |
| P-610975032 | 90 | As is | 1.444 g |
| P-899913924 | N/A | As is | by synthesis |
| P-606841495 | N/A | As is | in stock |
| P-596969588 | 98 | As is | 200 mg |
| P-580195656 | 98 | As is | in stock |
| P-864132127 | 95 | As is | in stock |
| P-901477743 | 95 | As is | by synthesis |
| P-860799368 | 98 | As is | in stock |
| P-862113917 | 98 | As is | 200 mg |
| P-675215697 | 95 | As is | in stock |
| P-563564369 | 95 | As is | 5 mg |
| P-889880215 | 95 | As is | by synthesis |
| P-589631591 | N/A | As is | in stock |
| P-617404204 | N/A | As is | in stock |
| P-869125270 | 95 | As is | by synthesis |
| P-892290645 | 95 | As is | unavailable |
| P-888638878 | 95 | As is | 999 mg |
| P-611492596 | 90 | As is | in stock |
| P-480967537 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 390.409 |
| logP | 4.4299 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 97.11 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 110.0073 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 19 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
