Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1562795003
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 | 61 USD | 95 | 7 working days | Get Quote |
| 5 mg | 146 USD | 95 | 7 working days | Get Quote |
| 10 mg | 232 USD | 95 | 7 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-9925018093
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1562795003.sdf |
| SMILES | MCULE-1562795003.smiles |
| Standard InChI | MCULE-1562795003.inchi |
| InChIKey | MCULE-1562795003.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679488 | 97 | As is | in stock |
| P-875858477 | N/A | As is | in stock |
| P-892786224 | 95 | As is | in stock |
| P-891647740 | N/A | As is | by synthesis |
| P-903002419 | N/A | As is | by synthesis |
| P-895106216 | 10 | As is | 10 mg |
| P-889795245 | 95 | As is | by synthesis |
| P-869111897 | 95 | As is | by synthesis |
| P-892267291 | 95 | As is | by synthesis |
| P-892287930 | 95 | As is | unavailable |
| P-892298109 | 95 | As is | unavailable |
| P-892346954 | 95 | As is | 51 mg |
| P-888629681 | 95 | As is | 92 mg |
| P-885971535 | 98 | As a main component | by synthesis |
| P-851732852 | N/A | As a main component | by synthesis |
| P-869111896 | 95 | As a main component | by synthesis |
| P-888629680 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 399.339 |
| logP | 3.1444 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 88.68 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 93.9537 |
| Atoms | 45 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 17 |
| Heteroatoms | 10 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
