Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4554043273
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 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-4554043273.sdf |
| SMILES | MCULE-4554043273.smiles |
| Standard InChI | MCULE-4554043273.inchi |
| InChIKey | MCULE-4554043273.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867585509 | 98 | As is | in stock |
| P-875743721 | N/A | As is | in stock |
| P-590372431 | 97 | As is | in stock |
| P-903074151 | 98 | As is | 4 kg |
| P-606884858 | N/A | As is | in stock |
| P-596954017 | 98 | As is | 2.5 kg |
| P-895922893 | 95 | As is | by resynthesis (? - ? days) |
| P-864196253 | 95 | As is | in stock |
| P-893218239 | 95 | As is | in stock |
| P-868614210 | 98 | As is | in stock |
| P-580301140 | 95 | As is | by resynthesis (? - ? days) |
| P-861975579 | 95 | As is | 49.3 g |
| P-905340228 | 95 | As is | 49.3 g |
| P-494300499 | 98 | As is | in stock |
| P-855999801 | 97 | As is | 4.996 g |
| P-596585388 | 97 | As is | 500 g |
| P-580517365 | 97 | As is | 975 g |
| P-852550814 | N/A | As is | in stock |
| P-500389069 | 99 | As is | by synthesis |
| P-885523978 | 95 | As is | by synthesis |
| P-873284596 | N/A | As is | in stock |
| P-502370826 | 90 | As is | in stock |
| P-893987053 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 122.164 |
| logP | 1.833 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 9.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 37.3 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 10 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
