Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1972636463-2
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.
-
MCULE-7256761856-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1972636463-2.sdf |
| SMILES | MCULE-1972636463-2.smiles |
| Standard InChI | MCULE-1972636463-2.inchi |
| InChIKey | MCULE-1972636463-2.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867586947 | 97 | As is | in stock |
| P-875745984 | 97 | As is | in stock |
| P-1275180829 | 98 | As is | in stock |
| P-1275144094 | 95 | As is | in stock |
| P-1275185262 | 98 | As is | in stock |
| P-903076564 | 98 | As is | 500 g |
| P-1270360415 | 97 | As is | in stock |
| P-606873718 | N/A | As is | in stock |
| P-596931632 | 99 | As is | 2 kg |
| P-1273455846 | 95 | As is | by resynthesis (? - ? days) |
| P-864193226 | 95 | As is | in stock |
| P-580722758 | 97 | As is | 226 g |
| P-851268244 | 95 | As is | by synthesis |
| P-854719569 | 95 | As is | in stock |
| P-1263159371 | 95 | As is | in stock |
| P-881190311 | 90 | As is | 50 mg |
| P-579710647 | 98 | As is | in stock |
| P-892289395 | 95 | As is | 2.009 g |
| P-1275093885 | 95 | As a main component | by synthesis |
| P-904223365 | 95 | As a main component | unavailable |
| P-904239362 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 337.454 |
| logP | 2.9869 |
| H-bond acceptors | 9 |
| H-bond donors | 6 |
| Rotatable bonds | 9 |
| PSA | 232.75 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 82.7596 |
| Atoms | 35 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 15 |
| Heteroatoms | 12 |
| N/O atoms | 9 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
