Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7181388069-0
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 | 71 USD | 95 | 10 working days | Get Quote |
| 5 mg | 88 USD | 95 | 10 working days | Get Quote |
| 10 mg | 119 USD | 95 | 10 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-1369899267-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7181388069-0.sdf |
| SMILES | MCULE-7181388069-0.smiles |
| Standard InChI | MCULE-7181388069-0.inchi |
| InChIKey | MCULE-7181388069-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867603893 | 97 | As is | in stock |
| P-875761129 | N/A | As is | in stock |
| P-903096336 | 97 | As is | 500 mg |
| P-893539199 | 90 | As is | 75 g |
| P-875893287 | N/A | As is | in stock |
| P-851928159 | N/A | As is | in stock |
| P-873292001 | 97 | As is | 36 g |
| P-905440606 | 95 | As is | by synthesis |
| P-851032603 | 97 | As is | by synthesis |
| P-861567287 | 95 | As is | by synthesis |
| P-1263254696 | 95 | As is | by synthesis |
| P-855996409 | 95 | As is | 100 mg |
| P-454424808 | 95 | As is | 100 g |
| P-580493393 | 95 | As is | by synthesis |
| P-895704148 | 95 | As is | by synthesis |
| P-889882571 | 95 | As is | by synthesis |
| P-906900368 | 99 | As is | in stock |
| P-886966026 | 95 | As is | by synthesis |
| P-852194944 | N/A | As a main component | by synthesis |
| P-855919490 | 97 | As a main component | 1000 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 290.357 |
| logP | 2.4001 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 72.63 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 84.3154 |
| Atoms | 43 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 22 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
