Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6609253975-0
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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 38 USD | 95 | 7 working days | Get Quote |
| 10 mg | 60 USD | 95 | 7 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-2663810503-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6609253975-0.sdf |
| SMILES | MCULE-6609253975-0.smiles |
| Standard InChI | MCULE-6609253975-0.inchi |
| InChIKey | MCULE-6609253975-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886853437 | N/A | As is | in stock |
| P-867289500 | N/A | As is | by synthesis |
| P-893252938 | 95 | As is | by synthesis |
| P-892269884 | 95 | As is | unavailable |
| P-892348150 | 95 | As is | unavailable |
| P-867635439 | 98 | As a main component | in stock |
| P-894668991 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1264058006 | 99 | As a main component | in stock |
| P-893618074 | 90 | As a main component | 8.605 g |
| P-851858117 | N/A | As a main component | by synthesis |
| P-895100759 | N/A | As a main component | 100 mg |
| P-1273256414 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864300965 | 95 | As a main component | by synthesis |
| P-580450490 | 99 | As a main component | in stock |
| P-1273110058 | 97 | As a main component | 100 mg |
| P-892288882 | 95 | As a main component | unavailable |
| P-869118677 | 95 | As a main component | 50 mg |
| P-888633712 | 95 | As a main component | 50 mg |
| P-863673438 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 340.484 |
| logP | 4.4553 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 57.64 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 104.2117 |
| Atoms | 48 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 24 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
