Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9029980649-0
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 | 68 USD | 97 | 10 working days | Get Quote |
| 5 mg | 73 USD | 95 | 14 working days | Get Quote |
| 10 mg | 73 USD | 95 | 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-9029980649-0.sdf |
| SMILES | MCULE-9029980649-0.smiles |
| Standard InChI | MCULE-9029980649-0.inchi |
| InChIKey | MCULE-9029980649-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266275739 | 97 | As is | in stock |
| P-1265962217 | 97 | As is | in stock |
| P-892786391 | 95 | As is | by resynthesis (? - ? days) |
| P-1264766785 | 97 | As is | 2 g |
| P-907473483 | 90 | As is | 2 g |
| P-1270357631 | 97 | As is | in stock |
| P-891645325 | N/A | As is | in stock |
| P-1272033411 | 95 | As is | 2 g |
| P-1273391901 | 95 | As is | by resynthesis (? - ? days) |
| P-905469728 | 95 | As is | in stock |
| P-892413106 | 97 | As is | 1.439 g |
| P-871212762 | 95 | As is | by synthesis |
| P-1274920720 | 95 | As is | in stock |
| P-524439889 | 97 | As is | 9.087 g |
| P-1272494626 | 95 | As is | in stock |
| P-1271701126 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 505.525 |
| logP | 2.83 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 142.04 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 142.3977 |
| Atoms | 64 |
| Rings | 5 |
| Heavy atoms | 37 |
| Hydrogen atoms | 27 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 |
