Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5602849743
Compound
Show structures
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 | 47 USD | 90 | 8 working days | Get Quote |
| 5 mg | 79 USD | 90 | 21 working days | Get Quote |
| 10 mg | 95 USD | 90 | 21 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-2985445277
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5602849743.sdf |
| SMILES | MCULE-5602849743.smiles |
| Standard InChI | MCULE-5602849743.inchi |
| InChIKey | MCULE-5602849743.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-650826701 | 90 | As is | by synthesis |
| P-26464780 | 90 | As is | 46 mg |
| P-502330871 | 90 | As is | in stock |
| P-22494839 | 90 | As is | 1000 mg |
| P-675212021 | 95 | As a main component | in stock |
| P-856045551 | 90 | As a main component | 2 g |
| P-856029497 | 90 | As a main component | 2 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 354.378 |
| logP | 4.2167 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 100.05 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 94.0748 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 14 |
| 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 |
