Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1264265063-1
Structure
Show compound
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 | 49 USD | 90 | 21 working days | Get Quote |
| 5 mg | 79 USD | 90 | 21 working days | Get Quote |
| 10 mg | 91 USD | 95 | 24 working days | Get Quote |
- 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-2927024492-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1264265063-1.sdf |
| SMILES | MCULE-1264265063-1.smiles |
| Standard InChI | MCULE-1264265063-1.inchi |
| InChIKey | MCULE-1264265063-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892791952 | 95 | As is | by resynthesis (? - ? days) |
| P-869387506 | 95 | As is | in stock |
| P-502799884 | 90 | As is | in stock |
| P-895527220 | 95 | As is | by synthesis |
| P-26433819 | 90 | As is | 37 mg |
| P-855301110 | 90 | As is | in stock |
| P-886796544 | 95 | As a main component | in stock |
| P-890078563 | 95 | As a main component | by synthesis |
| P-903413734 | 95 | As a main component | 5 g |
| P-1263671695 | N/A | As a main component | by synthesis |
| P-864317083 | 95 | As a main component | by synthesis |
| P-1263324834 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 159.169 |
| logP | -0.0186 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 104.17 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 34.6825 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 5 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
