Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9791449975-1
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 | 6 USD | 99 | 14 working days | Get Quote |
| 5 mg | 6 USD | 99 | 14 working days | Get Quote |
| 10 mg | 6 USD | 99 | 14 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-9791449975-1.sdf |
| SMILES | MCULE-9791449975-1.smiles |
| Standard InChI | MCULE-9791449975-1.inchi |
| InChIKey | MCULE-9791449975-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867586295 | 98 | As is | in stock |
| P-875744831 | N/A | As is | in stock |
| P-588246888 | 98 | As is | in stock |
| P-903075791 | 99 | As is | 2 kg |
| P-596954332 | 99 | As is | 100 kg |
| P-494319869 | 95 | As is | unavailable |
| P-864101782 | 95 | As is | in stock |
| P-889740464 | 95 | As is | 15 g |
| P-893228021 | 95 | As is | in stock |
| P-580279707 | 95 | As is | by resynthesis (? - ? days) |
| P-889109706 | 98 | As is | 1.14 kg |
| P-878215894 | 95 | As is | 250 g |
| P-675208364 | 95 | As is | by synthesis |
| P-860796807 | 95 | As is | 185 g |
| P-852377309 | N/A | As is | in stock |
| P-888893483 | N/A | As is | in stock |
| P-500392017 | 98 | As is | by synthesis |
| P-885560623 | 95 | As is | by synthesis |
| P-19346626 | 90 | As is | in stock |
| P-903744348 | 94 | As is | by resynthesis (? - ? days) |
| P-855044322 | 90 | As is | in stock |
| P-3248754 | 90 | As is | 2 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 96.033 |
| logP | 0.3361 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 13.6018 |
| Atoms | 8 |
| Rings | 0 |
| Heavy atoms | 6 |
| Hydrogen atoms | 2 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
