Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6498362380
Compound
Show structures
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 | 129 USD | 95 | 22 working days | Get Quote |
| 5 mg | 316 USD | 95 | 22 working days | Get Quote |
| 10 mg | 332 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-6903647725
- Component type: Main
-
MCULE-2303968065
- Component type: Main
-
MCULE-8899614200
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6498362380.sdf |
| SMILES | MCULE-6498362380.smiles |
| Standard InChI | MCULE-6498362380.inchi |
| InChIKey | MCULE-6498362380.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867641379 | 95 | As is | in stock |
| P-875807798 | N/A | As is | in stock |
| P-869305022 | 95 | As is | in stock |
| P-881621432 | N/A | As is | by synthesis |
| P-606959135 | 97 | As is | by synthesis |
| P-895195285 | 95 | As is | by synthesis |
| P-885560412 | 95 | As is | by synthesis |
| P-611515359 | 90 | As is | in stock |
| P-893764247 | 95 | As is | by synthesis |
| P-892954774 | N/A | As a main component | by synthesis |
| P-886779534 | 95 | As a main component | in stock |
| P-1263690472 | N/A | As a main component | by synthesis |
| P-1263352159 | 95 | As a main component | by synthesis |
| P-893825503 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 130.171 |
| logP | 0.5954 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 87.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 32.6131 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
