Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4112077202-0
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 | 53 USD | 90 | 10 working days | Get Quote |
| 5 mg | 66 USD | 90 | 10 working days | Get Quote |
| 10 mg | 90 USD | 90 | 10 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.
| Name | File |
|---|---|
| SDF | MCULE-4112077202-0.sdf |
| SMILES | MCULE-4112077202-0.smiles |
| Standard InChI | MCULE-4112077202-0.inchi |
| InChIKey | MCULE-4112077202-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266026083 | 95 | As is | in stock |
| P-875720948 | 95 | As is | in stock |
| P-869336725 | 95 | As is | by resynthesis (? - ? days) |
| P-1264490119 | 95 | As is | 2 g |
| P-1274436105 | 90 | As is | 2 g |
| P-1270374364 | 95 | As is | in stock |
| P-875906100 | N/A | As is | in stock |
| P-895094531 | 95 | As is | 2 g |
| P-1273389538 | 95 | As is | by resynthesis (? - ? days) |
| P-889789547 | 95 | As is | in stock |
| P-873438156 | 95 | As is | 4.195 g |
| P-889729914 | 95 | As is | by synthesis |
| P-889406020 | 95 | As is | 2 g |
| P-890212827 | 90 | As is | in stock |
| P-579524059 | 90 | As is | 1000 mg |
| P-675513411 | 95 | As is | in stock |
| P-855908179 | 90 | As is | 1.01 g |
| P-856002625 | 90 | As is | 1.01 g |
| P-852547464 | N/A | As is | by synthesis |
| P-864054542 | 95 | As is | by synthesis |
| P-859989471 | 95 | As is | by synthesis |
| P-33219998 | 90 | As is | in stock |
| P-906842415 | 95 | As is | by synthesis |
| P-855334774 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 262.300 |
| logP | 2.2865 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 7 |
| PSA | 52.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 70.06 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
