Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5572115071
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 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-5572115071.sdf |
| SMILES | MCULE-5572115071.smiles |
| Standard InChI | MCULE-5572115071.inchi |
| InChIKey | MCULE-5572115071.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893032937 | N/A | As an isomer | by synthesis |
| P-596335208 | 90 | As an isomer | 217 mg |
| P-596511022 | 90 | As an isomer | 217 mg |
| P-4876696 | 90 | As an isomer | 1 mg |
| P-4179288 | 90 | As an isomer | 34 mg |
| P-502592534 | 90 | As an isomer | in stock |
| P-12515653 | 95 | As an isomer | 300 mg |
| P-12364057 | 90 | As an isomer | 24 mg |
| P-23812539 | 92 | As an isomer | 300 mg |
| P-18831589 | 90 | As an isomer | in stock |
| P-12515473 | 90 | As an isomer | 4 mg |
| P-903641490 | 94 | As an isomer | by resynthesis (? - ? days) |
| P-1916403 | 90 | As an isomer | 163 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 378.384 |
| logP | 0.7767 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 172.61 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 99.6186 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 10 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| 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 |
