Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7408728427
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-7408728427.sdf |
| SMILES | MCULE-7408728427.smiles |
| Standard InChI | MCULE-7408728427.inchi |
| InChIKey | MCULE-7408728427.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867659640 | 95 | As is | in stock |
| P-875828114 | N/A | As is | in stock |
| P-590417898 | 99 | As is | in stock |
| P-585263612 | 95 | As is | 587.5 g |
| P-889578403 | 95 | As is | in stock |
| P-893254273 | 95 | As is | by synthesis |
| P-870585214 | 98 | As is | in stock |
| P-889116426 | 95 | As is | 75.5 g |
| P-505516073 | 95 | As is | in stock |
| P-488550652 | 90 | As is | in stock |
| P-596588189 | 90 | As is | 5 g |
| P-613284108 | 95 | As is | by synthesis |
| P-852505553 | N/A | As is | in stock |
| P-620001937 | 90 | As is | 1000 mg |
| P-620219344 | 95 | As is | 1000 mg |
| P-454368967 | 92 | As is | in stock |
| P-500404215 | 98 | As is | by synthesis |
| P-885523944 | 95 | As is | by synthesis |
| P-579366442 | 90 | As is | in stock |
| P-611529656 | 90 | As is | in stock |
| P-855012189 | 90 | As is | in stock |
| P-3228253 | 90 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 103.163 |
| logP | -0.0696 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 23.47 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 30.2068 |
| Atoms | 20 |
| Rings | 0 |
| Heavy atoms | 7 |
| Hydrogen atoms | 13 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
