Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9713182711
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 | 52 USD | 95 | 20 working days | Get Quote |
| 5 mg | 52 USD | 95 | 20 working days | Get Quote |
| 10 mg | 52 USD | 95 | 20 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-9713182711.sdf |
| SMILES | MCULE-9713182711.smiles |
| Standard InChI | MCULE-9713182711.inchi |
| InChIKey | MCULE-9713182711.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867696406 | 95 | As is | in stock |
| P-875876169 | 95 | As is | in stock |
| P-874624090 | 95 | As is | by resynthesis (? - ? days) |
| P-903372529 | 95 | As is | 25 g |
| P-893570288 | 90 | As is | 74.696 g |
| P-1270381955 | 95 | As is | in stock |
| P-851941161 | N/A | As is | in stock |
| P-865939990 | 95 | As is | 10 g |
| P-895952996 | 95 | As is | by resynthesis (? - ? days) |
| P-889581462 | 95 | As is | in stock |
| P-666962035 | 95 | As is | 4.105 g |
| P-870589991 | 95 | As is | by synthesis |
| P-889428600 | 97 | As is | 29.445 g |
| P-900313822 | 95 | As is | by synthesis |
| P-855960063 | 95 | As is | 50 mg |
| P-863718114 | 95 | As is | in stock |
| P-888877525 | N/A | As is | in stock |
| P-868812031 | 95 | As is | by synthesis |
| P-873280964 | N/A | As is | in stock |
| P-1271704063 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 157.599 |
| logP | 2.0131 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 50.94 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 42.9571 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 8 |
| 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 |
