Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9652847713
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 | 98 USD | 95 | 7 working days | Get Quote |
| 5 mg | 211 USD | 98 | 22 working days | Get Quote |
| 10 mg | 363 USD | 98 | 22 working days | Get Quote |
- 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-4655503549
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9652847713.sdf |
| SMILES | MCULE-9652847713.smiles |
| Standard InChI | MCULE-9652847713.inchi |
| InChIKey | MCULE-9652847713.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867693069 | N/A | As is | in stock |
| P-875872764 | N/A | As is | in stock |
| P-903362995 | N/A | As is | 200 mg |
| P-1264057699 | 98 | As is | in stock |
| P-893588983 | 90 | As is | 7.043 g |
| P-895109412 | N/A | As is | 200 mg |
| P-1273260105 | 95 | As is | by resynthesis (? - ? days) |
| P-889797131 | 95 | As is | by synthesis |
| P-900266308 | 95 | As is | in stock |
| P-873248058 | 97 | As is | 5 mg |
| P-896627971 | 95 | As is | by synthesis |
| P-863724155 | 95 | As is | in stock |
| P-888169338 | 98 | As is | by synthesis |
| P-892288806 | 95 | As is | unavailable |
| P-869118458 | 95 | As is | 138 mg |
| P-888633519 | 95 | As is | 138 mg |
| P-855245789 | 90 | As is | in stock |
| P-901022049 | 95 | As a main component | by synthesis |
| P-869131824 | 95 | As a main component | unavailable |
| P-888642813 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 450.354 |
| logP | 4.4464 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 54.04 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 129.9747 |
| Atoms | 55 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 25 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 |
