Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-8885874119
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.
-
MCULE-3420546236
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8885874119.sdf |
| SMILES | MCULE-8885874119.smiles |
| Standard InChI | MCULE-8885874119.inchi |
| InChIKey | MCULE-8885874119.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587383 | 98 | As is | in stock |
| P-875746387 | N/A | As is | in stock |
| P-596984322 | 98 | As is | 300 g |
| P-864192507 | 95 | As is | in stock |
| P-893233711 | 95 | As is | in stock |
| P-580450333 | 99 | As is | in stock |
| P-871252525 | 90 | As is | 100 mg |
| P-890223022 | 90 | As is | in stock |
| P-505492777 | 95 | As is | in stock |
| P-505493087 | 95 | As is | in stock |
| P-524442713 | 97 | As is | 480 mg |
| P-500375744 | 98 | As is | by synthesis |
| P-500380396 | 98 | As is | by synthesis |
| P-904255994 | 95 | As is | in stock |
| P-869107923 | 95 | As is | by synthesis |
| P-892286516 | 95 | As is | unavailable |
| P-888626945 | 95 | As is | 52 mg |
| P-893139004 | N/A | As a main component | by synthesis |
| P-894659801 | 95 | As a main component | in stock |
| P-869119575 | 95 | As a main component | by synthesis |
| P-888634476 | 95 | As a main component | unavailable |
| P-855220592 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 211.214 |
| logP | 1.1426 |
| H-bond acceptors | 5 |
| H-bond donors | 4 |
| Rotatable bonds | 3 |
| PSA | 103.78 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 54.3922 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| 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 |
