Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1312312591
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 | 34 USD | 95 | 14 working days | Get Quote |
| 5 mg | 34 USD | 95 | 14 working days | Get Quote |
| 10 mg | 34 USD | 95 | 14 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-7599902650
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1312312591.sdf |
| SMILES | MCULE-1312312591.smiles |
| Standard InChI | MCULE-1312312591.inchi |
| InChIKey | MCULE-1312312591.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867491633 | N/A | As is | by synthesis |
| P-590415107 | N/A | As is | in stock |
| P-906905506 | N/A | As is | in stock |
| P-892862806 | 95 | As a main component | in stock |
| P-901270179 | N/A | As a main component | in stock |
| P-590373996 | 95 | As a main component | in stock |
| P-903141741 | 95 | As a main component | 20 g |
| P-905483510 | 95 | As a main component | 10 g |
| P-901337005 | 95 | As a main component | by synthesis |
| P-868597884 | 95 | As a main component | in stock |
| P-854829054 | 95 | As a main component | by synthesis |
| P-889865222 | 95 | As a main component | by synthesis |
| P-906863893 | 98 | As a main component | by synthesis |
| P-615396115 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 45.041 |
| logP | 0.0762 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 32.59 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 11.3355 |
| Atoms | 6 |
| Rings | 0 |
| Heavy atoms | 3 |
| Hydrogen atoms | 3 |
| 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 |
