Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4564512392-0
Structure
Show compound
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 | 28 USD | 92 | 18 working days | Get Quote |
| 5 mg | 43 USD | 92 | 18 working days | Get Quote |
| 10 mg | 54 USD | 92 | 18 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-4564512392-0.sdf |
| SMILES | MCULE-4564512392-0.smiles |
| Standard InChI | MCULE-4564512392-0.inchi |
| InChIKey | MCULE-4564512392-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886536819 | 95 | As is | in stock |
| P-901256831 | N/A | As is | in stock |
| P-613850074 | 95 | As is | in stock |
| P-851615045 | N/A | As is | by synthesis |
| P-489170477 | 97 | As is | in stock |
| P-866724637 | 95 | As is | by resynthesis (? - ? days) |
| P-889801482 | 95 | As is | by synthesis |
| P-590946881 | 95 | As is | by synthesis |
| P-4873781 | 90 | As is | 50 mg |
| P-619932499 | 90 | As is | by synthesis |
| P-449239536 | 90 | As is | 28 mg |
| P-436462302 | 95 | As is | 2 g |
| P-868633452 | 95 | As is | in stock |
| P-580271545 | 95 | As is | by resynthesis (? - ? days) |
| P-569189815 | 90 | As is | in stock |
| P-569433427 | 95 | As is | 1.18 g |
| P-502966790 | 90 | As is | in stock |
| P-492228643 | 95 | As is | in stock |
| P-488544049 | 90 | As is | in stock |
| P-13907831 | 95 | As is | 300 mg |
| P-596593937 | 90 | As is | 5 g |
| P-852433190 | N/A | As is | in stock |
| P-35179835 | 90 | As is | 1.258 kg |
| P-854919408 | 95 | As is | by synthesis |
| P-454364756 | 92 | As is | in stock |
| P-674676923 | 92 | As is | 300 mg |
| P-500388612 | 97 | As is | by synthesis |
| P-856064527 | 95 | As is | in stock |
| P-18826730 | 90 | As is | in stock |
| P-33909591 | 90 | As is | in stock |
| P-502388401 | 90 | As is | in stock |
| P-611595985 | 90 | As is | in stock |
| P-464682008 | 90 | As is | 1.004 g |
| P-35131250 | 90 | As is | 1.004 g |
| P-893771575 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 204.221 |
| logP | 2.4511 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 50.44 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 59.087 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
