Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1238676706-0
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-1238676706-0.sdf |
| SMILES | MCULE-1238676706-0.smiles |
| Standard InChI | MCULE-1238676706-0.inchi |
| InChIKey | MCULE-1238676706-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867570451 | 97 | As is | in stock |
| P-875730272 | 98 | As is | in stock |
| P-903059998 | 98 | As is | 825.94 g |
| P-893540531 | 90 | As is | 3.66743 kg |
| P-1270330938 | 98 | As is | in stock |
| P-851940850 | N/A | As is | in stock |
| P-489176040 | 97 | As is | in stock |
| P-596975487 | 98 | As is | 725.94 g |
| P-589661091 | 95 | As is | by resynthesis (? - ? days) |
| P-864132351 | 97 | As is | in stock |
| P-868599425 | 96 | As is | in stock |
| P-580407845 | 95 | As is | by resynthesis (? - ? days) |
| P-905352977 | 97 | As is | 86 g |
| P-862114330 | 97 | As is | 1.68649 kg |
| P-579454043 | 97 | As is | 10 g |
| P-855995168 | 97 | As is | 100 mg |
| P-579626413 | 97 | As is | in stock |
| P-902978412 | 95 | As is | in stock |
| P-885546203 | 95 | As is | by synthesis |
| P-869157401 | 95 | As is | unavailable |
| P-888653469 | 95 | As is | unavailable |
| P-611381346 | 90 | As is | in stock |
| P-615390881 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 107.110 |
| logP | 2.0845 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 29.43 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 31.897 |
| Atoms | 13 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 5 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
