Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6954429362
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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-6954429362.sdf |
| SMILES | MCULE-6954429362.smiles |
| Standard InChI | MCULE-6954429362.inchi |
| InChIKey | MCULE-6954429362.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886615108 | 95 | As is | in stock |
| P-889928773 | N/A | As is | by synthesis |
| P-613849463 | 95 | As is | in stock |
| P-903154985 | 95 | As is | 1000 mg |
| P-851564156 | N/A | As is | by synthesis |
| P-889808253 | 95 | As is | by synthesis |
| P-590891488 | 95 | As is | by synthesis |
| P-454711088 | 90 | As is | in stock |
| P-436459350 | 95 | As is | in stock |
| P-861552897 | 95 | As is | by synthesis |
| P-502564721 | 95 | As is | by synthesis |
| P-596586715 | 90 | As is | 1000 mg |
| P-852431216 | N/A | As is | in stock |
| P-895524555 | 95 | As is | by synthesis |
| P-885522993 | 95 | As is | by synthesis |
| P-19727318 | 90 | As is | in stock |
| P-855216890 | 90 | As is | in stock |
| P-2199043 | 90 | As is | 1.525 g |
| P-3219953 | 90 | As is | 1.525 g |
| P-893857107 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 240.300 |
| logP | 3.4793 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 73.2956 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 16 |
| Heteroatoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
