Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6932837620-0
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 | 47 USD | 90 | 8 working days | Get Quote |
| 5 mg | 58 USD | 95 | 22 working days | Get Quote |
| 10 mg | 58 USD | 95 | 22 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-6932837620-0.sdf |
| SMILES | MCULE-6932837620-0.smiles |
| Standard InChI | MCULE-6932837620-0.inchi |
| InChIKey | MCULE-6932837620-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867549085 | 95 | As is | in stock |
| P-875707030 | 95 | As is | in stock |
| P-1275542965 | 90 | As is | by synthesis |
| P-851906794 | N/A | As is | by synthesis |
| P-489223560 | 97 | As is | in stock |
| P-596986714 | 98 | As is | unavailable |
| P-591167366 | 95 | As is | by synthesis |
| P-893234528 | 95 | As is | in stock |
| P-870653399 | N/A | As is | in stock |
| P-893293975 | 95 | As is | 5 g |
| P-579475252 | 95 | As is | 100 mg |
| P-31234115 | 90 | As is | unavailable |
| P-885544192 | 95 | As is | by synthesis |
| P-22538545 | 90 | As is | 225 mg |
| P-906794311 | 98 | As is | by synthesis |
| P-611573142 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 166.216 |
| logP | 1.8973 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.3538 |
| Atoms | 26 |
| Rings | 3 |
| Heavy atoms | 12 |
| Hydrogen atoms | 14 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
