Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4768713856
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 | 11 USD | 95 | 14 working days | Get Quote |
| 5 mg | 11 USD | 95 | 14 working days | Get Quote |
| 10 mg | 11 USD | 95 | 14 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-4768713856.sdf |
| SMILES | MCULE-4768713856.smiles |
| Standard InChI | MCULE-4768713856.inchi |
| InChIKey | MCULE-4768713856.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867546044 | 98 | As is | in stock |
| P-875702811 | N/A | As is | in stock |
| P-590367729 | 99 | As is | in stock |
| P-881671152 | 95 | As is | in stock |
| P-903026936 | 98 | As is | 134.75 g |
| P-893574091 | 90 | As is | 1.70063 kg |
| P-580259247 | 95 | As is | by synthesis |
| P-851942630 | N/A | As is | in stock |
| P-489212170 | 97 | As is | in stock |
| P-596986536 | 97 | As is | 500 g |
| P-589656428 | 95 | As is | by resynthesis (? - ? days) |
| P-864177165 | 97 | As is | in stock |
| P-619603697 | 98 | As is | 36 g |
| P-901423121 | 95 | As is | by synthesis |
| P-901474101 | 95 | As is | by synthesis |
| P-868585400 | 97 | As is | in stock |
| P-580443940 | 95 | As is | by resynthesis (? - ? days) |
| P-905359397 | 98 | As is | 10 g |
| P-889435210 | 98 | As is | 721.967 g |
| P-870653853 | N/A | As is | in stock |
| P-855987070 | 97 | As is | 1000 mg |
| P-579754077 | 95 | As is | by synthesis |
| P-35211764 | 90 | As is | 495 g |
| P-869093592 | 95 | As is | in stock |
| P-617689036 | 90 | As is | 200 mg |
| P-12418651 | 90 | As is | 200 mg |
| P-13351854 | 92 | As is | 195 mg |
| P-885543285 | 95 | As is | by synthesis |
| P-596730082 | 90 | As is | in stock |
| P-906760444 | 98 | As is | by synthesis |
| P-611383097 | 90 | As is | in stock |
| P-578055500 | 90 | As is | 35 mg |
| P-893799751 | 95 | As is | by synthesis |
| P-854648229 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 150.174 |
| logP | 1.5025 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 29.46 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.7548 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
