Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4299150163-0
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-4299150163-0.sdf |
| SMILES | MCULE-4299150163-0.smiles |
| Standard InChI | MCULE-4299150163-0.inchi |
| InChIKey | MCULE-4299150163-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587203 | 95 | As is | in stock |
| P-875746124 | 95 | As is | in stock |
| P-1275181596 | N/A | As is | in stock |
| P-1275146378 | 98 | As is | in stock |
| P-1275170747 | 99 | As is | in stock |
| P-903076879 | 98 | As is | 1.6 kg |
| P-1272347507 | 99 | As is | in stock |
| P-851948888 | N/A | As is | in stock |
| P-597005907 | 98 | As is | 900 g |
| P-1273455689 | 95 | As is | by resynthesis (? - ? days) |
| P-1275480737 | 99 | As is | in stock |
| P-889740733 | 95 | As is | 500 g |
| P-868609785 | 95 | As is | in stock |
| P-862056250 | 98 | As is | 249.275 kg |
| P-905349961 | 98 | As is | 100 g |
| P-870659435 | N/A | As is | in stock |
| P-855982653 | 97 | As is | 5 g |
| P-579635715 | 98 | As is | by resynthesis (? - ? days) |
| P-856039510 | 90 | As is | 10 g |
| P-31273689 | 90 | As is | 10 g |
| P-613283866 | 95 | As is | by synthesis |
| P-580474978 | 97 | As is | by synthesis |
| P-854691258 | 95 | As is | in stock |
| P-896630289 | 95 | As is | by synthesis |
| P-878649355 | 98 | As is | in stock |
| P-492279850 | 95 | As is | 1000 mg |
| P-12680547 | 90 | As is | 1000 mg |
| P-885536560 | 95 | As is | by synthesis |
| P-869179973 | 95 | As is | in stock |
| P-892301643 | 95 | As is | unavailable |
| P-892282652 | 95 | As is | 79.768 g |
| P-892356037 | 95 | As is | 79.767 g |
| P-502368004 | 90 | As is | in stock |
| P-1271701990 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 102.175 |
| logP | 1.559 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 32.1178 |
| Atoms | 21 |
| Rings | 0 |
| Heavy atoms | 7 |
| Hydrogen atoms | 14 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
