Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7871206888
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 | 135 USD | 95 | 22 working days | Get Quote |
| 5 mg | 135 USD | 95 | 22 working days | Get Quote |
| 10 mg | 135 USD | 95 | 22 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-5955485612
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7871206888.sdf |
| SMILES | MCULE-7871206888.smiles |
| Standard InChI | MCULE-7871206888.inchi |
| InChIKey | MCULE-7871206888.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867428679 | N/A | As is | by synthesis |
| P-612935505 | 95 | As is | in stock |
| P-851842127 | N/A | As is | by synthesis |
| P-870066106 | 90 | As is | 1000 mg |
| P-591003657 | 97 | As is | by synthesis |
| P-861275125 | 95 | As is | in stock |
| P-492221685 | 95 | As is | in stock |
| P-563671705 | 95 | As is | 1000 mg |
| P-608090852 | 95 | As is | 10 g |
| P-852388708 | N/A | As is | in stock |
| P-864025547 | 95 | As is | by synthesis |
| P-856065465 | 95 | As is | in stock |
| P-23341092 | 90 | As is | in stock |
| P-502339353 | 90 | As is | in stock |
| P-873091603 | 94 | As is | by resynthesis (? - ? days) |
| P-873063987 | 94 | As is | by resynthesis (? - ? days) |
| P-611600043 | 90 | As is | in stock |
| P-675397875 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 210.359 |
| logP | 3.0181 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 29.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 69.9334 |
| Atoms | 41 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 26 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
