Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1220066468-0
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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 28 USD | 95 | 7 working days | Get Quote |
| 10 mg | 35 USD | 95 | 7 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-8719716451-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1220066468-0.sdf |
| SMILES | MCULE-1220066468-0.smiles |
| Standard InChI | MCULE-1220066468-0.inchi |
| InChIKey | MCULE-1220066468-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852195608 | 95 | As is | by synthesis |
| P-1268873398 | 95 | As is | by synthesis |
| P-899990469 | 95 | As is | by synthesis |
| P-555282072 | 95 | As is | by synthesis |
| P-502400506 | 90 | As is | in stock |
| P-867638961 | N/A | As a main component | in stock |
| P-875804651 | N/A | As a main component | in stock |
| P-613853774 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1264449177 | 98 | As a main component | in stock |
| P-1264047961 | 99 | As a main component | in stock |
| P-893617893 | 90 | As a main component | 11.062 g |
| P-489132690 | 97 | As a main component | in stock |
| P-873295637 | 95 | As a main component | 10 g |
| P-905466451 | 95 | As a main component | in stock |
| P-901413117 | 95 | As a main component | in stock |
| P-870652669 | 98 | As a main component | in stock |
| P-888620954 | 95 | As a main component | 5 mg |
| P-31194781 | 90 | As a main component | 500 mg |
| P-580485131 | 98 | As a main component | by synthesis |
| P-899992575 | 95 | As a main component | in stock |
| P-474024876 | 95 | As a main component | in stock |
| P-608276239 | 98 | As a main component | in stock |
| P-500392609 | 98 | As a main component | by synthesis |
| P-1263956634 | 90 | As a main component | in stock |
| P-885542286 | 95 | As a main component | by synthesis |
| P-892286916 | 95 | As a main component | unavailable |
| P-869108216 | 95 | As a main component | 187 mg |
| P-888627257 | 95 | As a main component | 83 mg |
| P-906877503 | 95 | As a main component | by synthesis |
| P-893972318 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 211.257 |
| logP | 1.7847 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 64.71 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 57.8752 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 17 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
