Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3078468824
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-3078468824.sdf |
| SMILES | MCULE-3078468824.smiles |
| Standard InChI | MCULE-3078468824.inchi |
| InChIKey | MCULE-3078468824.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867565074 | 98 | As is | in stock |
| P-875724412 | N/A | As is | in stock |
| P-535626016 | 98 | As is | in stock |
| P-505390971 | 99 | As is | in stock |
| P-903053542 | 98 | As is | 4 kg |
| P-905483806 | 97 | As is | 10 g |
| P-606918191 | N/A | As is | in stock |
| P-489117317 | 97 | As is | in stock |
| P-596946661 | 98 | As is | 10 kg |
| P-895922555 | 95 | As is | by resynthesis (? - ? days) |
| P-864184757 | 95 | As is | in stock |
| P-889740414 | 95 | As is | 75 g |
| P-580698311 | 98 | As is | 1.2 kg |
| P-868601581 | 98 | As is | in stock |
| P-862056596 | 97 | As is | 10.5977 kg |
| P-905349984 | 97 | As is | 110 g |
| P-890220731 | 90 | As is | 348.7 g |
| P-855378798 | 90 | As is | 348.7 g |
| P-503080820 | 90 | As is | by synthesis |
| P-596565509 | 97 | As is | 500 g |
| P-579627791 | 99 | As is | unavailable |
| P-613332540 | 95 | As is | by synthesis |
| P-860791184 | N/A | As is | by synthesis |
| P-852426726 | N/A | As is | in stock |
| P-867943857 | 95 | As is | in stock |
| P-500388087 | 98 | As is | by synthesis |
| P-859998492 | 95 | As is | by synthesis |
| P-502385714 | 90 | As is | in stock |
| P-906778820 | 98 | As is | by synthesis |
| P-611454997 | 90 | As is | in stock |
| P-893997507 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 202.247 |
| logP | 1.3848 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 7 |
| PSA | 52.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 52.754 |
| Atoms | 32 |
| Rings | 0 |
| Heavy atoms | 14 |
| Hydrogen atoms | 18 |
| 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 |
