Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8757876813-0
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 | 20 USD | 95 | 22 working days | Get Quote |
| 5 mg | 20 USD | 95 | 22 working days | Get Quote |
| 10 mg | 20 USD | 95 | 22 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.
-
MCULE-3947103730-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8757876813-0.sdf |
| SMILES | MCULE-8757876813-0.smiles |
| Standard InChI | MCULE-8757876813-0.inchi |
| InChIKey | MCULE-8757876813-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867627296 | 95 | As is | in stock |
| P-875790154 | N/A | As is | in stock |
| P-613855611 | 95 | As is | in stock |
| P-903141412 | 95 | As is | 5 g |
| P-610970517 | 90 | As is | 152.589 g |
| P-875896370 | N/A | As is | in stock |
| P-851947314 | N/A | As is | in stock |
| P-865918976 | 95 | As is | 6 g |
| P-585299197 | 95 | As is | by resynthesis (? - ? days) |
| P-864161852 | 95 | As is | in stock |
| P-619604563 | 95 | As is | 1000 mg |
| P-901467013 | 95 | As is | by synthesis |
| P-492269743 | 95 | As is | in stock |
| P-896633670 | 95 | As is | by synthesis |
| P-868619528 | 95 | As is | in stock |
| P-580275856 | 95 | As is | by resynthesis (? - ? days) |
| P-862018135 | 95 | As is | 2.25 g |
| P-502473957 | 95 | As is | by synthesis |
| P-18680793 | 95 | As is | 41.679 g |
| P-454376595 | 95 | As is | 41.679 g |
| P-852412006 | N/A | As is | in stock |
| P-519755239 | 97 | As is | 89.9 g |
| P-35280088 | 97 | As is | 89.9 kg |
| P-895221386 | 95 | As is | in stock |
| P-888846031 | N/A | As is | by synthesis |
| P-500388785 | 95 | As is | by synthesis |
| P-873283365 | N/A | As is | in stock |
| P-502403673 | 90 | As is | in stock |
| P-906863421 | 97 | As is | by synthesis |
| P-611381845 | 90 | As is | in stock |
| P-868512610 | 95 | As is | in stock |
| P-675126170 | 90 | As a main component | in stock |
| P-617779996 | 90 | As a main component | 968 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.242 |
| logP | 2.9638 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 64.3803 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| 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 |
