Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2343995549
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 | 39 USD | 90 | 22 working days | Get Quote |
| 5 mg | 57 USD | 90 | 22 working days | Get Quote |
| 10 mg | 72 USD | 90 | 22 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.
| Name | File |
|---|---|
| SDF | MCULE-2343995549.sdf |
| SMILES | MCULE-2343995549.smiles |
| Standard InChI | MCULE-2343995549.inchi |
| InChIKey | MCULE-2343995549.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867412345 | N/A | As is | by synthesis |
| P-851502814 | N/A | As is | by synthesis |
| P-596494515 | 90 | As is | 1000 mg |
| P-596430840 | 90 | As is | 1000 mg |
| P-590844638 | 95 | As is | by synthesis |
| P-454680932 | 90 | As is | in stock |
| P-584566981 | 90 | As is | 8 mg |
| P-436441696 | 90 | As is | 4.86 g |
| P-251083 | 90 | As is | 1.107 g |
| P-34704415 | 90 | As is | by synthesis |
| P-580786861 | 90 | As is | by resynthesis (? - ? days) |
| P-488546279 | 90 | As is | in stock |
| P-596588762 | 90 | As is | 5 g |
| P-852383047 | N/A | As is | in stock |
| P-864013855 | 95 | As is | by synthesis |
| P-454366088 | 92 | As is | in stock |
| P-491225181 | 95 | As is | by synthesis |
| P-23968803 | 90 | As is | in stock |
| P-896083726 | N/A | As is | 137 mg |
| P-33443643 | 90 | As is | in stock |
| P-502336420 | 90 | As is | in stock |
| P-903639684 | 94 | As is | by resynthesis (? - ? days) |
| P-611489243 | 90 | As is | in stock |
| P-3229708 | 90 | As is | 1000 mg |
| P-2367219 | 90 | As is | 1000 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 267.277 |
| logP | -0.1726 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 76.07 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 68.7798 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 17 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
