Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6948366604-0
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 55 USD | 95 | 22 working days | Get Quote |
| 10 mg | 55 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-6948366604-0.sdf |
| SMILES | MCULE-6948366604-0.smiles |
| Standard InChI | MCULE-6948366604-0.inchi |
| InChIKey | MCULE-6948366604-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867610628 | 95 | As is | in stock |
| P-875769831 | N/A | As is | in stock |
| P-590401256 | 95 | As is | in stock |
| P-903109087 | 98 | As is | 20 g |
| P-893508517 | 90 | As is | 53.502 g |
| P-851602263 | N/A | As is | by synthesis |
| P-489234825 | 97 | As is | in stock |
| P-596470654 | 90 | As is | 66 mg |
| P-864120719 | 95 | As is | in stock |
| P-590929155 | 98 | As is | by synthesis |
| P-901437241 | 95 | As is | by synthesis |
| P-492252825 | 95 | As is | in stock |
| P-454685922 | 90 | As is | in stock |
| P-436443660 | 90 | As is | unavailable |
| P-868621469 | 98 | As is | in stock |
| P-580306213 | 95 | As is | by resynthesis (? - ? days) |
| P-861974709 | 95 | As is | 20.066 g |
| P-596564994 | 95 | As is | 1000 mg |
| P-615646208 | 95 | As is | in stock |
| P-895031859 | 85 | As is | in stock |
| P-852388432 | N/A | As is | in stock |
| P-519752873 | 97 | As is | 14 g |
| P-428012648 | 97 | As is | 14 kg |
| P-869093703 | 95 | As is | in stock |
| P-519923656 | 90 | As is | in stock |
| P-22624439 | 90 | As is | in stock |
| P-502337719 | 90 | As is | in stock |
| P-873063947 | 94 | As is | by resynthesis (? - ? days) |
| P-873093722 | 94 | As is | by resynthesis (? - ? days) |
| P-873059545 | 94 | As is | by resynthesis (? - ? days) |
| P-906786958 | 95 | As is | by synthesis |
| P-611393796 | 90 | As is | in stock |
| P-611511238 | 90 | As is | in stock |
| P-2143759 | 90 | As is | 10 mg |
| P-615454145 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.184 |
| logP | 1.7098 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.5523 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| 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 |
