Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8739278813
Compound
Show structure
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-8739278813.sdf |
| SMILES | MCULE-8739278813.smiles |
| Standard InChI | MCULE-8739278813.inchi |
| InChIKey | MCULE-8739278813.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886659563 | 97 | As is | in stock |
| P-901288600 | N/A | As is | in stock |
| P-869278673 | 95 | As is | in stock |
| P-851426215 | N/A | As is | by synthesis |
| P-869582336 | 90 | As is | 58 mg |
| P-889816053 | 95 | As is | by synthesis |
| P-591084725 | 95 | As is | by synthesis |
| P-901474313 | 95 | As is | by synthesis |
| P-608405297 | 90 | As is | in stock |
| P-448745468 | 90 | As is | 39 mg |
| P-226183 | 90 | As is | 206 mg |
| P-517289201 | 95 | As is | 2 g |
| P-575292208 | 90 | As is | in stock |
| P-868631064 | 97 | As is | in stock |
| P-34517474 | 90 | As is | by synthesis |
| P-560283186 | 90 | As is | in stock |
| P-502442545 | 95 | As is | in stock |
| P-13153472 | 95 | As is | 300 mg |
| P-855980614 | 95 | As is | 1000 mg |
| P-31227486 | 90 | As is | 250 mg |
| P-852564388 | N/A | As is | in stock |
| P-854834141 | 95 | As is | by synthesis |
| P-13413265 | 92 | As is | 300 mg |
| P-18858049 | 90 | As is | in stock |
| P-33448795 | 90 | As is | in stock |
| P-888438064 | 94 | As is | by resynthesis (? - ? days) |
| P-855229230 | 90 | As is | in stock |
| P-771216 | 90 | As is | 200 mg |
| P-886894092 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 269.727 |
| logP | 3.9683 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 37.81 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 78.3407 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
