Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7044705326
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 | 95 | 20 working days | Get Quote |
| 5 mg | 7 USD | 95 | 20 working days | Get Quote |
| 10 mg | 7 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-7044705326.sdf |
| SMILES | MCULE-7044705326.smiles |
| Standard InChI | MCULE-7044705326.inchi |
| InChIKey | MCULE-7044705326.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867603426 | 95 | As is | in stock |
| P-875760648 | N/A | As is | in stock |
| P-881671199 | 95 | As is | in stock |
| P-505392135 | 97 | As is | in stock |
| P-903096248 | 98 | As is | 5 kg |
| P-606943087 | N/A | As is | in stock |
| P-596959803 | 95 | As is | 5 kg |
| P-864161095 | 95 | As is | in stock |
| P-584629672 | 95 | As is | 255 g |
| P-505577231 | 98 | As is | in stock |
| P-851286779 | 95 | As is | by synthesis |
| P-868595994 | 98 | As is | in stock |
| P-608494976 | 95 | As is | in stock |
| P-505529863 | 95 | As is | in stock |
| P-18699792 | 95 | As is | 4.496 g |
| P-454378582 | 95 | As is | 4.496 g |
| P-579625318 | 95 | As is | unavailable |
| P-852548930 | N/A | As is | in stock |
| P-896629558 | 95 | As is | by synthesis |
| P-854720159 | 95 | As is | in stock |
| P-579717189 | N/A | As is | in stock |
| P-500406289 | 99 | As is | by synthesis |
| P-498640147 | 95 | As is | by synthesis |
| P-869124147 | 95 | As is | by synthesis |
| P-892290292 | 95 | As is | 1.103 g |
| P-888638026 | 95 | As is | 1.103 g |
| P-611555235 | 90 | As is | in stock |
| P-893946209 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 335.823 |
| logP | 4.779 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 9 |
| PSA | 48.42 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 92.986 |
| Atoms | 45 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 22 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
