Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7174437105
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 | 98 | 22 working days | Get Quote |
| 5 mg | 34 USD | 98 | 22 working days | Get Quote |
| 10 mg | 51 USD | 98 | 22 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-7174437105.sdf |
| SMILES | MCULE-7174437105.smiles |
| Standard InChI | MCULE-7174437105.inchi |
| InChIKey | MCULE-7174437105.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875758894 | N/A | As is | in stock |
| P-903093944 | 98 | As is | 7 g |
| P-870132260 | 98 | As is | by synthesis |
| P-851249243 | 95 | As is | by synthesis |
| P-861517499 | 95 | As is | by synthesis |
| P-852523040 | N/A | As is | in stock |
| P-904066416 | 95 | As is | by synthesis |
| P-854712452 | 95 | As is | in stock |
| P-584626942 | 95 | As is | in stock |
| P-888171604 | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 348.477 |
| logP | 6.2943 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 37.3 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 110.0043 |
| Atoms | 54 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 28 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
