Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9466713122
Compound
Show structure
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 | 12 USD | 97 | 20 working days | Get Quote |
| 5 mg | 12 USD | 97 | 20 working days | Get Quote |
| 10 mg | 12 USD | 97 | 20 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-4273323542
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9466713122.sdf |
| SMILES | MCULE-9466713122.smiles |
| Standard InChI | MCULE-9466713122.inchi |
| InChIKey | MCULE-9466713122.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886580840 | 98 | As is | in stock |
| P-1275163489 | 98 | As is | in stock |
| P-893446632 | 90 | As is | 138.75 g |
| P-1270371232 | 98 | As is | in stock |
| P-1272061958 | N/A | As is | in stock |
| P-888308780 | N/A | As is | in stock |
| P-596989593 | 97 | As is | 50 g |
| P-1274871846 | 95 | As is | by resynthesis (? - ? days) |
| P-1273473240 | 95 | As is | by resynthesis (? - ? days) |
| P-864197537 | 95 | As is | in stock |
| P-901432822 | 95 | As is | by synthesis |
| P-905434858 | 97 | As is | 63.75 g |
| P-890206473 | 90 | As is | in stock |
| P-579490446 | 90 | As is | 0 mg |
| P-596572344 | 97 | As is | 1000 mg |
| P-35220173 | 90 | As is | in stock |
| P-859961265 | 95 | As is | by synthesis |
| P-19776243 | 90 | As is | in stock |
| P-33259551 | 90 | As is | in stock |
| P-906756377 | 98 | As is | by synthesis |
| P-611376014 | 90 | As is | in stock |
| P-611602597 | 90 | As is | in stock |
| P-2570187 | 90 | As is | 34 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 215.222 |
| logP | 3.2819 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 32.59 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 62.119 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
