Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6052846690-0
Structure
Show compound
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 | 26 USD | 98 | 16 working days | Get Quote |
| 5 mg | 42 USD | 98 | 16 working days | Get Quote |
| 10 mg | 61 USD | 98 | 16 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.
| Name | File |
|---|---|
| SDF | MCULE-6052846690-0.sdf |
| SMILES | MCULE-6052846690-0.smiles |
| Standard InChI | MCULE-6052846690-0.inchi |
| InChIKey | MCULE-6052846690-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867610211 | N/A | As is | in stock |
| P-875769491 | 98 | As is | in stock |
| P-613852797 | 98 | As is | by resynthesis (? - ? days) |
| P-903108702 | 99 | As is | 200 mg |
| P-904320993 | 90 | As is | 490 mg |
| P-1270283173 | 98 | As is | in stock |
| P-851950265 | N/A | As is | in stock |
| P-888816516 | 99 | As is | 200 mg |
| P-1273259275 | 95 | As is | by resynthesis (? - ? days) |
| P-1273281530 | 95 | As is | by resynthesis (? - ? days) |
| P-889592907 | 95 | As is | in stock |
| P-871219189 | N/A | As is | by resynthesis (? - ? days) |
| P-887183835 | 95 | As is | by synthesis |
| P-870659426 | N/A | As is | in stock |
| P-873246964 | 97 | As is | 5 mg |
| P-1279082043 | N/A | As is | by synthesis |
| P-854719257 | 95 | As is | in stock |
| P-474028183 | 95 | As is | in stock |
| P-878647880 | 98 | As is | in stock |
| P-889869238 | 95 | As is | by synthesis |
| P-892293600 | 95 | As is | unavailable |
| P-869156745 | 95 | As is | 98 mg |
| P-888652994 | 95 | As is | 98 mg |
| P-1271722943 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 419.379 |
| logP | 3.7004 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 113.32 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 101.4768 |
| Atoms | 41 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 12 |
| Heteroatoms | 10 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
