Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2347327082-0
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 | 23 USD | 98 | 16 working days | Get Quote |
| 5 mg | 30 USD | N/A | 20 working days | Get Quote |
| 10 mg | 36 USD | 95 | 7 working days | Get Quote |
- 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-2347327082-0.sdf |
| SMILES | MCULE-2347327082-0.smiles |
| Standard InChI | MCULE-2347327082-0.inchi |
| InChIKey | MCULE-2347327082-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867675842 | N/A | As is | in stock |
| P-875851801 | 98 | As is | in stock |
| P-869347284 | 95 | As is | by resynthesis (? - ? days) |
| P-505401352 | 95 | As is | by resynthesis (? - ? days) |
| P-893607857 | 90 | As is | 2.471 g |
| P-1264209805 | N/A | As is | in stock |
| P-895105138 | N/A | As is | 100 mg |
| P-1273262222 | 95 | As is | by resynthesis (? - ? days) |
| P-889795020 | 95 | As is | by synthesis |
| P-591114647 | 97 | As is | by synthesis |
| P-901512762 | 95 | As is | by synthesis |
| P-887190111 | 95 | As is | by synthesis |
| P-524166784 | 95 | As is | 10 mg |
| P-1279081757 | N/A | As is | by synthesis |
| P-1272497165 | 95 | As is | by synthesis |
| P-854721354 | 95 | As is | in stock |
| P-584621729 | 95 | As is | in stock |
| P-878642614 | 98 | As is | in stock |
| P-892296005 | 95 | As is | unavailable |
| P-869161565 | 95 | As is | 150 mg |
| P-888656919 | 95 | As is | 150 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 412.464 |
| logP | 2.7732 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 105.29 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 113.793 |
| Atoms | 49 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 20 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| 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 |
