Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9282956641-0
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 60 USD | 95 | 8 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-9282956641-0.sdf |
| SMILES | MCULE-9282956641-0.smiles |
| Standard InChI | MCULE-9282956641-0.inchi |
| InChIKey | MCULE-9282956641-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867427518 | N/A | As is | by synthesis |
| P-1264890953 | 90 | As is | by synthesis |
| P-894620576 | 95 | As is | in stock |
| P-903009259 | 95 | As is | 1000 mg |
| P-851624218 | N/A | As is | by synthesis |
| P-896027697 | 95 | As is | in stock |
| P-889743170 | 95 | As is | 1.5 g |
| P-613177522 | 95 | As is | by synthesis |
| P-901453665 | 95 | As is | by synthesis |
| P-3539000 | 90 | As is | 48 mg |
| P-492244878 | 95 | As is | in stock |
| P-502748684 | 90 | As is | in stock |
| P-31185286 | 90 | As is | 250 mg |
| P-14167576 | 90 | As is | 49 mg |
| P-854932061 | 95 | As is | by synthesis |
| P-621081611 | 90 | As is | by synthesis |
| P-19152243 | 90 | As is | in stock |
| P-22451514 | 90 | As is | 169 mg |
| P-855356612 | 90 | As is | in stock |
| P-1069862 | 90 | As is | 7.368 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 231.675 |
| logP | 3.6653 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 65.6662 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
