Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3864702843
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 | 22 USD | 99 | 15 working days | Get Quote |
| 5 mg | 35 USD | 98 | 16 working days | Get Quote |
| 10 mg | 56 USD | 98 | 16 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-3864702843.sdf |
| SMILES | MCULE-3864702843.smiles |
| Standard InChI | MCULE-3864702843.inchi |
| InChIKey | MCULE-3864702843.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867616412 | 98 | As is | in stock |
| P-875777707 | N/A | As is | in stock |
| P-590360240 | 98 | As is | in stock |
| P-505394517 | 95 | As is | in stock |
| P-903120626 | 99 | As is | 500 mg |
| P-893516067 | 90 | As is | 15.413 g |
| P-606832543 | N/A | As is | in stock |
| P-489221292 | 97 | As is | in stock |
| P-596963783 | 98 | As is | 125 mg |
| P-580192828 | 98 | As is | in stock |
| P-889550512 | 95 | As is | in stock |
| P-580719247 | 99 | As is | 181 mg |
| P-901550754 | 95 | As is | by synthesis |
| P-881633924 | 98 | As is | in stock |
| P-851244106 | 95 | As is | by synthesis |
| P-860798328 | 98 | As is | in stock |
| P-861358801 | 95 | As is | by synthesis |
| P-675216084 | 95 | As is | in stock |
| P-524166671 | 95 | As is | 100 mg |
| P-852502984 | N/A | As is | in stock |
| P-905145127 | 95 | As is | by synthesis |
| P-854711467 | 95 | As is | in stock |
| P-584619441 | 95 | As is | in stock |
| P-608271323 | 98 | As is | in stock |
| P-589631648 | N/A | As is | in stock |
| P-579712239 | N/A | As is | in stock |
| P-906797414 | 98 | As is | by synthesis |
| P-886921255 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 541.686 |
| logP | 4.704 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 99.15 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 167.7499 |
| Atoms | 79 |
| Rings | 5 |
| Heavy atoms | 40 |
| Hydrogen atoms | 39 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| 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 |
