Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3739794789-0
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 | 22 USD | 98 | 8 working days | Get Quote |
| 5 mg | 34 USD | 98 | 20 working days | Get Quote |
| 10 mg | 75 USD | 98 | 22 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-3739794789-0.sdf |
| SMILES | MCULE-3739794789-0.smiles |
| Standard InChI | MCULE-3739794789-0.inchi |
| InChIKey | MCULE-3739794789-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679994 | 98 | As is | in stock |
| P-875858882 | 98 | As is | in stock |
| P-874632469 | N/A | As is | by resynthesis (? - ? days) |
| P-1264054332 | 99 | As is | in stock |
| P-893605819 | 90 | As is | 4.368 g |
| P-1270343918 | 98 | As is | in stock |
| P-888731126 | N/A | As is | in stock |
| P-892192721 | 98 | As is | 250 mg |
| P-1273260290 | 95 | As is | by resynthesis (? - ? days) |
| P-889773015 | 95 | As is | in stock |
| P-890242609 | 98 | As is | 300 mg |
| P-1275105775 | N/A | As is | by resynthesis (? - ? days) |
| P-893263036 | 95 | As is | by synthesis |
| P-851310227 | 95 | As is | by synthesis |
| P-860800238 | 98 | As is | in stock |
| P-887191211 | 95 | As is | by synthesis |
| P-854621125 | 98 | As is | in stock |
| P-868079141 | 95 | As is | in stock |
| P-873248666 | 97 | As is | 1 mg |
| P-904640136 | 95 | As is | by synthesis |
| P-854715130 | 95 | As is | in stock |
| P-584618536 | 95 | As is | in stock |
| P-608272703 | 98 | As is | in stock |
| P-1263957974 | 90 | As is | in stock |
| P-892289026 | 95 | As is | unavailable |
| P-869119021 | 95 | As is | 142 mg |
| P-888633997 | 95 | As is | 142 mg |
| P-1271680062 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 466.475 |
| logP | 5.2842 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 96.78 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 114.375 |
| Atoms | 53 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 21 |
| Heteroatoms | 10 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
