Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-7974218863-0
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 | 7 USD | 99 | 20 working days | Get Quote |
| 5 mg | 7 USD | 99 | 20 working days | Get Quote |
| 10 mg | 7 USD | 99 | 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.
-
MCULE-1017133244-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7974218863-0.sdf |
| SMILES | MCULE-7974218863-0.smiles |
| Standard InChI | MCULE-7974218863-0.inchi |
| InChIKey | MCULE-7974218863-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867535243 | 98 | As is | in stock |
| P-901283630 | N/A | As is | in stock |
| P-535625883 | 95 | As is | in stock |
| P-505352577 | 98 | As is | in stock |
| P-505353810 | 97 | As is | in stock |
| P-492324749 | 95 | As is | in stock |
| P-580239982 | 95 | As is | by synthesis |
| P-580240972 | 95 | As is | by synthesis |
| P-606950792 | N/A | As is | in stock |
| P-596936059 | 99 | As is | 3 g |
| P-864090442 | 97 | As is | in stock |
| P-505536861 | 95 | As is | in stock |
| P-488555667 | 92 | As is | in stock |
| P-488543697 | 90 | As is | in stock |
| P-454363645 | 92 | As is | in stock |
| P-500371373 | 98 | As is | by synthesis |
| P-892221668 | 95 | As is | by synthesis |
| P-869175751 | 95 | As is | in stock |
| P-892288516 | 95 | As is | 552 mg |
| P-892315770 | 95 | As is | 552 mg |
| P-868516408 | 95 | As is | in stock |
| P-500399439 | 98 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 220.224 |
| logP | 1.5282 |
| H-bond acceptors | 5 |
| H-bond donors | 4 |
| Rotatable bonds | 3 |
| PSA | 99.34 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 59.3809 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
