Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6621021126-0
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 | 44 USD | N/A | 9 working days | Get Quote |
| 5 mg | 62 USD | 98 | 15 working days | Get Quote |
| 10 mg | 98 USD | 98 | 15 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-6621021126-0.sdf |
| SMILES | MCULE-6621021126-0.smiles |
| Standard InChI | MCULE-6621021126-0.inchi |
| InChIKey | MCULE-6621021126-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-881654079 | 98 | As is | in stock |
| P-893473126 | 90 | As is | 74.163 g |
| P-1270315057 | 98 | As is | in stock |
| P-606895977 | N/A | As is | in stock |
| P-1273254886 | 95 | As is | by resynthesis (? - ? days) |
| P-864174272 | 98 | As is | in stock |
| P-868545684 | 98 | As is | in stock |
| P-590630709 | 98 | As is | 86 mg |
| P-861379442 | 95 | As is | by synthesis |
| P-868078340 | 95 | As is | in stock |
| P-854716744 | 95 | As is | in stock |
| P-871071345 | 95 | As is | in stock |
| P-888169929 | 98 | As is | by synthesis |
| P-579712478 | 98 | As is | in stock |
| P-904255737 | 95 | As is | unavailable |
| P-869175033 | 95 | As is | 95 mg |
| P-888664810 | 95 | As is | 95 mg |
| P-611415847 | 90 | As is | in stock |
| P-1271703997 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 448.603 |
| logP | 5.1093 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 76.89 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 133.6354 |
| Atoms | 69 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 36 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
