Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7866139125
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 | 7 working days | Get Quote |
| 5 mg | 282 USD | 98 | 11 working days | Get Quote |
| 10 mg | 282 USD | 98 | 11 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-7866139125.sdf |
| SMILES | MCULE-7866139125.smiles |
| Standard InChI | MCULE-7866139125.inchi |
| InChIKey | MCULE-7866139125.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890188051 | N/A | As is | in stock |
| P-611667057 | 98 | As is | in stock |
| P-895180040 | 95 | As is | by synthesis |
| P-878644495 | 98 | As is | in stock |
| P-1266264674 | N/A | As an isomer | in stock |
| P-888701139 | 98 | As an isomer | by resynthesis (? - ? days) |
| P-893596113 | 90 | As an isomer | 90 mg |
| P-892193614 | N/A | As an isomer | 20 mg |
| P-1273257840 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-901420136 | 95 | As an isomer | by synthesis |
| P-878207940 | 95 | As an isomer | 10 mg |
| P-869179735 | 95 | As an isomer | in stock |
| P-892301505 | 95 | As an isomer | unavailable |
| P-892279917 | 95 | As an isomer | 50 mg |
| P-892354629 | 95 | As an isomer | 50 mg |
| P-1271623203 | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 343.373 |
| logP | 2.878 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 88.02 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 95.4727 |
| Atoms | 46 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 21 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
