Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4407988272
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 | 12 USD | N/A | 20 working days | Get Quote |
| 5 mg | 12 USD | N/A | 20 working days | Get Quote |
| 10 mg | 12 USD | N/A | 20 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-9484762136
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4407988272.sdf |
| SMILES | MCULE-4407988272.smiles |
| Standard InChI | MCULE-4407988272.inchi |
| InChIKey | MCULE-4407988272.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867660012 | N/A | As is | in stock |
| P-590403702 | N/A | As is | in stock |
| P-851744445 | N/A | As is | by synthesis |
| P-865926154 | N/A | As is | 300 g |
| P-889464793 | 95 | As is | by synthesis |
| P-905323655 | N/A | As is | 100 g |
| P-862108999 | N/A | As is | 100 g |
| P-608220101 | N/A | As is | in stock |
| P-873244881 | 97 | As is | 500 mg |
| P-31179481 | 90 | As is | 2 g |
| P-856045736 | 90 | As is | 2 g |
| P-878644882 | 98 | As is | in stock |
| P-869123787 | 95 | As is | by synthesis |
| P-892290185 | 95 | As is | unavailable |
| P-888637762 | 95 | As is | 149 mg |
| P-502333027 | 90 | As is | in stock |
| P-22528329 | 90 | As is | 1000 mg |
| P-906770490 | N/A | As is | by synthesis |
| P-611431477 | 90 | As is | in stock |
| P-615410600 | 95 | As is | in stock |
| P-870653751 | 85 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 358.370 |
| logP | 5.3023 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 127.93 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 93.4368 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 14 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
