Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4057504306
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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 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-4057504306.sdf |
| SMILES | MCULE-4057504306.smiles |
| Standard InChI | MCULE-4057504306.inchi |
| InChIKey | MCULE-4057504306.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587180 | 98 | As is | in stock |
| P-875745301 | N/A | As is | in stock |
| P-597013440 | 98 | As is | in stock |
| P-590392038 | 98 | As is | in stock |
| P-903076332 | 98 | As is | 200 g |
| P-893512176 | 90 | As is | 320.845 g |
| P-875893868 | N/A | As is | in stock |
| P-606876379 | N/A | As is | in stock |
| P-489174345 | 97 | As is | in stock |
| P-596954581 | 98 | As is | 75 g |
| P-895922833 | 95 | As is | by resynthesis (? - ? days) |
| P-864115819 | 95 | As is | in stock |
| P-580699816 | 98 | As is | 96 g |
| P-454624506 | 90 | As is | in stock |
| P-436450729 | 95 | As is | 80 g |
| P-851273854 | 95 | As is | by synthesis |
| P-868612252 | 97 | As is | in stock |
| P-580407285 | 95 | As is | by resynthesis (? - ? days) |
| P-881675337 | N/A | As is | by resynthesis (? - ? days) |
| P-905429569 | 98 | As is | 41 g |
| P-1264366723 | 98 | As is | 41 g |
| P-488543294 | 90 | As is | in stock |
| P-12373248 | 95 | As is | 232 mg |
| P-855996180 | 98 | As is | 100 mg |
| P-524185389 | 98 | As is | 25 g |
| P-615648970 | 95 | As is | in stock |
| P-579623007 | 95 | As is | 250 g |
| P-580506270 | 98 | As is | by synthesis |
| P-852405305 | N/A | As is | in stock |
| P-428003067 | 90 | As is | unavailable |
| P-854739317 | 95 | As is | in stock |
| P-492282639 | 97 | As is | 118 mg |
| P-26486489 | 90 | As is | 118 mg |
| P-888891313 | N/A | As is | in stock |
| P-454363530 | 92 | As is | in stock |
| P-500387735 | 98 | As is | by synthesis |
| P-885524415 | 95 | As is | by synthesis |
| P-23898175 | 90 | As is | in stock |
| P-579708431 | N/A | As is | in stock |
| P-596769589 | 98 | As is | 182.5 g |
| P-502358497 | 90 | As is | in stock |
| P-906773221 | 98 | As is | by synthesis |
| P-611456596 | 90 | As is | in stock |
| P-3229787 | 90 | As is | 2.392 g |
| P-1416802 | 90 | As is | 2.392 g |
| P-893937830 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 219.236 |
| logP | 2.3532 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 51.32 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 60.8772 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
