Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7683163308
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 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-8861061923
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7683163308.sdf |
| SMILES | MCULE-7683163308.smiles |
| Standard InChI | MCULE-7683163308.inchi |
| InChIKey | MCULE-7683163308.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892862510 | 95 | As is | in stock |
| P-889923558 | N/A | As is | by synthesis |
| P-869265434 | 95 | As is | in stock |
| P-903138954 | 95 | As is | 1000 mg |
| P-889833301 | 95 | As is | by synthesis |
| P-856007592 | 95 | As is | 100 mg |
| P-596569856 | 97 | As is | 25 g |
| P-454421717 | 95 | As is | 25 g |
| P-35252537 | 90 | As is | 24.88 kg |
| P-854858679 | 95 | As is | by synthesis |
| P-885516144 | 95 | As is | by synthesis |
| P-19374539 | 90 | As is | in stock |
| P-896083325 | N/A | As is | 180 mg |
| P-906899041 | 97 | As is | in stock |
| P-906751943 | 97 | As is | by synthesis |
| P-611609885 | 90 | As is | in stock |
| P-2971574 | 90 | As is | 266 mg |
| P-893784365 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 227.301 |
| logP | 2.9007 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 32.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 69.4725 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 17 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
