Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1645285691
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 | 71 USD | 90 | 10 working days | Get Quote |
| 5 mg | 88 USD | 90 | 10 working days | Get Quote |
| 10 mg | 95 USD | N/A | 17 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-8038147351
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1645285691.sdf |
| SMILES | MCULE-1645285691.smiles |
| Standard InChI | MCULE-1645285691.inchi |
| InChIKey | MCULE-1645285691.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-851446535 | N/A | As is | by synthesis |
| P-590896554 | 95 | As is | by synthesis |
| P-854924034 | 95 | As is | by synthesis |
| P-855307982 | 90 | As is | in stock |
| P-867447964 | N/A | As a main component | by synthesis |
| P-595216646 | 95 | As a main component | in stock |
| P-904757112 | N/A | As a main component | by synthesis |
| P-494374534 | 95 | As a main component | by resynthesis (? - ? days) |
| P-905562949 | 95 | As a main component | by synthesis |
| P-617651235 | 90 | As a main component | in stock |
| P-584601331 | 95 | As a main component | in stock |
| P-580297603 | 95 | As a main component | by resynthesis (? - ? days) |
| P-454283744 | 90 | As a main component | 141 mg |
| P-852421990 | N/A | As a main component | in stock |
| P-428054733 | 90 | As a main component | 3.611 kg |
| P-895696632 | 95 | As a main component | by synthesis |
| P-502404483 | 90 | As a main component | in stock |
| P-855212978 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 196.289 |
| logP | 1.4077 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 32.34 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 64.4907 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 20 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
