Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4344160591
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 | 6 USD | 95 | 22 working days | Get Quote |
| 5 mg | 6 USD | 95 | 22 working days | Get Quote |
| 10 mg | 6 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.
| Name | File |
|---|---|
| SDF | MCULE-4344160591.sdf |
| SMILES | MCULE-4344160591.smiles |
| Standard InChI | MCULE-4344160591.inchi |
| InChIKey | MCULE-4344160591.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867660080 | 95 | As is | in stock |
| P-875828307 | N/A | As is | in stock |
| P-869190765 | 98 | As is | in stock |
| P-588246784 | 99 | As is | in stock |
| P-903203589 | 95 | As is | 300 g |
| P-606891952 | N/A | As is | in stock |
| P-596971984 | 99 | As is | 5 kg |
| P-580192643 | 98 | As is | in stock |
| P-579791263 | 95 | As is | 914.28 g |
| P-494305478 | 95 | As is | 450 g |
| P-905498453 | N/A | As is | in stock |
| P-1263666321 | 95 | As is | in stock |
| P-851249575 | 95 | As is | by synthesis |
| P-868644496 | 98 | As is | in stock |
| P-905307758 | 99 | As is | in stock |
| P-500417932 | 98 | As is | in stock |
| P-502528969 | 95 | As is | by synthesis |
| P-579474567 | 95 | As is | 100 mg |
| P-579686671 | 95 | As is | by resynthesis (? - ? days) |
| P-31249115 | 90 | As is | unavailable |
| P-580500075 | 97 | As is | by synthesis |
| P-852523147 | N/A | As is | in stock |
| P-854713787 | 95 | As is | in stock |
| P-584624252 | 95 | As is | in stock |
| P-608274897 | 98 | As is | in stock |
| P-885546237 | 95 | As is | by synthesis |
| P-579711387 | N/A | As is | in stock |
| P-869108083 | 95 | As is | by synthesis |
| P-892286748 | 95 | As is | 486 mg |
| P-888627126 | 95 | As is | 486 mg |
| P-502394263 | 90 | As is | in stock |
| P-611381172 | 90 | As is | in stock |
| P-893986909 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 174.195 |
| logP | 2.5667 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 42.52 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 40.423 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |
