Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8220245547-0
Structure
Show compound
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 20 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-8220245547-0.sdf |
| SMILES | MCULE-8220245547-0.smiles |
| Standard InChI | MCULE-8220245547-0.inchi |
| InChIKey | MCULE-8220245547-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867566727 | 95 | As is | in stock |
| P-875726671 | N/A | As is | in stock |
| P-590359001 | 95 | As is | in stock |
| P-903055663 | 98 | As is | 200 g |
| P-610965397 | 90 | As is | 746.152 g |
| P-606849194 | N/A | As is | in stock |
| P-489200351 | 97 | As is | in stock |
| P-596947518 | 98 | As is | 200 g |
| P-895922852 | 95 | As is | by resynthesis (? - ? days) |
| P-864092025 | 97 | As is | in stock |
| P-580712705 | 98 | As is | 1000 mg |
| P-901418937 | 95 | As is | by synthesis |
| P-492252205 | 95 | As is | in stock |
| P-4143531 | 90 | As is | 25 mg |
| P-851299831 | 95 | As is | by synthesis |
| P-868581905 | 95 | As is | in stock |
| P-862028070 | 97 | As is | 3 g |
| P-505545690 | 95 | As is | in stock |
| P-524188946 | 98 | As is | 5 g |
| P-580498612 | N/A | As is | by synthesis |
| P-852607684 | N/A | As is | in stock |
| P-854731675 | 95 | As is | in stock |
| P-851381529 | 95 | As is | 19.5 g |
| P-611566981 | 90 | As is | in stock |
| P-575328528 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 152.194 |
| logP | 0.8941 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 46.01 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.0578 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
