Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9455227735-0
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 | 13 USD | 98 | 9 working days | Get Quote |
| 5 mg | 13 USD | 98 | 9 working days | Get Quote |
| 10 mg | 13 USD | 98 | 9 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-9455227735-0.sdf |
| SMILES | MCULE-9455227735-0.smiles |
| Standard InChI | MCULE-9455227735-0.inchi |
| InChIKey | MCULE-9455227735-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867538896 | 98 | As is | in stock |
| P-875695250 | 98 | As is | in stock |
| P-1275174430 | 99 | As is | in stock |
| P-1275158594 | 98 | As is | in stock |
| P-869217975 | 95 | As is | by resynthesis (? - ? days) |
| P-1272605575 | 95 | As is | 100 g |
| P-893252178 | 95 | As is | by synthesis |
| P-868608731 | 98 | As is | in stock |
| P-580294517 | 95 | As is | by resynthesis (? - ? days) |
| P-889112878 | 99 | As is | 309.5 g |
| P-488553289 | 90 | As is | in stock |
| P-454417198 | 95 | As is | 429.853 g |
| P-454352233 | 95 | As is | 683 mg |
| P-856039602 | 90 | As is | 5 g |
| P-31274044 | 90 | As is | 5 g |
| P-613283802 | 95 | As is | by synthesis |
| P-580496638 | N/A | As is | by synthesis |
| P-852496873 | 95 | As is | by synthesis |
| P-888171930 | 98 | As is | by synthesis |
| P-492279813 | 90 | As is | 1000 g |
| P-12680401 | 90 | As is | 1000 g |
| P-454370308 | 92 | As is | in stock |
| P-885559884 | 95 | As is | by synthesis |
| P-424893439 | 90 | As is | in stock |
| P-502352996 | 90 | As is | in stock |
| P-23336699 | 94 | As is | by resynthesis (? - ? days) |
| P-611517474 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 84.116 |
| logP | 1.1295 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 24.235 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 6 |
| Hydrogen atoms | 8 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
