Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2069106916
Compound
Show structures
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 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 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-2069106916.sdf |
| SMILES | MCULE-2069106916.smiles |
| Standard InChI | MCULE-2069106916.inchi |
| InChIKey | MCULE-2069106916.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893137085 | N/A | As is | by synthesis |
| P-867569827 | 98 | As is | in stock |
| P-875729564 | N/A | As is | in stock |
| P-881662918 | 98 | As is | in stock |
| P-869261027 | 99 | As is | in stock |
| P-903058501 | 98 | As is | 14 kg |
| P-1264051169 | 95 | As is | in stock |
| P-489188040 | 97 | As is | in stock |
| P-596948814 | 98 | As is | 12.5 kg |
| P-580194292 | 98 | As is | in stock |
| P-864190641 | 95 | As is | in stock |
| P-901490206 | 95 | As is | by synthesis |
| P-893221715 | 95 | As is | in stock |
| P-34910398 | 90 | As is | in stock |
| P-868614628 | 95 | As is | in stock |
| P-608497958 | 95 | As is | in stock |
| P-862113350 | 95 | As is | 2.5 kg |
| P-905323922 | 95 | As is | 2.5 kg |
| P-500417916 | 99 | As is | in stock |
| P-505546324 | 95 | As is | in stock |
| P-899783753 | 97 | As is | 500 g |
| P-579616733 | 98 | As is | 1000 g |
| P-31138856 | 90 | As is | unavailable |
| P-580511913 | N/A | As is | 595 kg |
| P-852523666 | N/A | As is | in stock |
| P-854717575 | 95 | As is | in stock |
| P-895184989 | 95 | As is | in stock |
| P-584624005 | 95 | As is | in stock |
| P-608276308 | 98 | As is | in stock |
| P-12968317 | 90 | As is | 100 mg |
| P-1263958569 | 90 | As is | in stock |
| P-1263956631 | 90 | As is | in stock |
| P-889862391 | 95 | As is | by synthesis |
| P-18916027 | 90 | As is | in stock |
| P-579711081 | N/A | As is | in stock |
| P-896073852 | N/A | As is | 308 mg |
| P-464625622 | 95 | As is | by synthesis |
| P-892286739 | 95 | As is | 3.528 g |
| P-888627117 | 95 | As is | 3.528 g |
| P-22652692 | 90 | As is | in stock |
| P-888440504 | 94 | As is | by resynthesis (? - ? days) |
| P-906776107 | 98 | As is | by synthesis |
| P-611459505 | 90 | As is | in stock |
| P-855031553 | 90 | As is | in stock |
| P-3243513 | 90 | As is | 3.411 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 179.215 |
| logP | 2.1167 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 38.33 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 52.0537 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
