Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-3886268011
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 | 17 USD | 95 | 20 working days | Get Quote |
| 5 mg | 17 USD | 95 | 20 working days | Get Quote |
| 10 mg | 17 USD | 95 | 20 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-3886268011.sdf |
| SMILES | MCULE-3886268011.smiles |
| Standard InChI | MCULE-3886268011.inchi |
| InChIKey | MCULE-3886268011.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875850314 | N/A | As is | in stock |
| P-894626800 | 95 | As is | in stock |
| P-873298961 | 95 | As is | 40 g |
| P-889589817 | 95 | As is | in stock |
| P-579805200 | 90 | As is | in stock |
| P-870569475 | 90 | As is | in stock |
| P-488549053 | 90 | As is | in stock |
| P-13670756 | 92 | As is | 300 mg |
| P-35173788 | 90 | As is | 1.175 kg |
| P-881177702 | 90 | As is | 10 mg |
| P-454371535 | 92 | As is | in stock |
| P-3242946 | 90 | As is | 1.095 g |
| P-464683158 | 90 | As is | 1.095 g |
| P-475168 | 90 | As is | 1.095 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 225.266 |
| logP | 1.5092 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 94.86 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 61.8175 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
