Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2742858358-0
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 75 USD | 99 | 21 working days | Get Quote |
| 10 mg | 75 USD | 99 | 21 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-2742858358-0.sdf |
| SMILES | MCULE-2742858358-0.smiles |
| Standard InChI | MCULE-2742858358-0.inchi |
| InChIKey | MCULE-2742858358-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867604851 | 95 | As is | in stock |
| P-875762997 | N/A | As is | in stock |
| P-869251712 | 95 | As is | in stock |
| P-903100025 | 95 | As is | 1000 mg |
| P-893526195 | 90 | As is | 72.01 g |
| P-864148302 | 95 | As is | in stock |
| P-504767127 | 90 | As is | 1 mg |
| P-861340729 | 95 | As is | by synthesis |
| P-580299513 | 95 | As is | by resynthesis (? - ? days) |
| P-579487441 | 90 | As is | 90 mg |
| P-454288950 | 90 | As is | 195 mg |
| P-35285575 | 95 | As is | 5.389 kg |
| P-492286081 | 99 | As is | 2.146 g |
| P-12968319 | 90 | As is | 2.146 g |
| P-888901468 | N/A | As is | in stock |
| P-860016630 | 95 | As is | by synthesis |
| P-23838239 | 90 | As is | in stock |
| P-22486909 | 90 | As is | 80 mg |
| P-494234 | 90 | As is | 1 mg |
| P-3246244 | 90 | As is | 1 mg |
| P-893666022 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 204.268 |
| logP | 1.358 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 23.55 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 67.709 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 16 |
| 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 |
