Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-4288370906
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 USD | 98 | 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-4288370906.sdf |
| SMILES | MCULE-4288370906.smiles |
| Standard InChI | MCULE-4288370906.inchi |
| InChIKey | MCULE-4288370906.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867536460 | 97 | As is | in stock |
| P-875691542 | N/A | As is | in stock |
| P-869188903 | 95 | As is | in stock |
| P-575539530 | 98 | As is | in stock |
| P-580238236 | 95 | As is | by synthesis |
| P-596936460 | 98 | As is | 2 kg |
| P-864115069 | 95 | As is | in stock |
| P-449242710 | 90 | As is | 100 mg |
| P-580426901 | 95 | As is | by resynthesis (? - ? days) |
| P-428630801 | 90 | As is | in stock |
| P-505507007 | 95 | As is | in stock |
| P-580005898 | 95 | As is | in stock |
| P-488543362 | 90 | As is | in stock |
| P-34065653 | 90 | As is | 500 mg |
| P-454363541 | 92 | As is | in stock |
| P-502366147 | 90 | As is | in stock |
| P-611511324 | 90 | As is | in stock |
| P-615393225 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 281.261 |
| logP | 1.6217 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 112.93 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 68.2693 |
| Atoms | 35 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 15 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
