Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4064866746
Compound
Show structures
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 | 17 USD | 95 | 8 working days | Get Quote |
| 5 mg | 17 USD | 95 | 8 working days | Get Quote |
| 10 mg | 17 USD | 95 | 8 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-4064866746.sdf |
| SMILES | MCULE-4064866746.smiles |
| Standard InChI | MCULE-4064866746.inchi |
| InChIKey | MCULE-4064866746.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867580086 | 98 | As is | in stock |
| P-867527584 | N/A | As is | by synthesis |
| P-875740002 | N/A | As is | in stock |
| P-590402302 | 97 | As is | in stock |
| P-903070128 | 98 | As is | 25 g |
| P-904314591 | 90 | As is | 49 g |
| P-866096290 | 95 | As is | 6.5 g |
| P-878260575 | N/A | As is | in stock |
| P-873290947 | 98 | As is | 20 g |
| P-589652044 | 95 | As is | 217 g |
| P-889565499 | 98 | As is | in stock |
| P-481174045 | 95 | As is | 11.75 g |
| P-878234351 | 98 | As is | 29.218 g |
| P-896633506 | 95 | As is | by synthesis |
| P-868642518 | 98 | As is | in stock |
| P-861922996 | 97 | As is | 24 g |
| P-890219529 | 90 | As is | in stock |
| P-590342199 | 90 | As is | 5.88 g |
| P-454283355 | 90 | As is | 122 mg |
| P-579670902 | 95 | As is | by resynthesis (? - ? days) |
| P-852381154 | N/A | As is | in stock |
| P-519762441 | 90 | As is | 20.5 g |
| P-35198516 | 90 | As is | 476 g |
| P-854786529 | 95 | As is | by synthesis |
| P-895851740 | 95 | As is | by synthesis |
| P-579717752 | N/A | As is | in stock |
| P-859995667 | 95 | As is | by synthesis |
| P-19756217 | 90 | As is | in stock |
| P-502331104 | 90 | As is | in stock |
| P-906774920 | 97 | As is | by synthesis |
| P-611492029 | 90 | As is | in stock |
| P-3041738 | 90 | As is | 1.047 g |
| P-575306533 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 220.148 |
| logP | 2.38 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 67.84 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 45.2129 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 7 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
