Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5647265915-0
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 | 6 USD | 96 | 14 working days | Get Quote |
| 5 mg | 6 USD | 96 | 14 working days | Get Quote |
| 10 mg | 6 USD | 96 | 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-5647265915-0.sdf |
| SMILES | MCULE-5647265915-0.smiles |
| Standard InChI | MCULE-5647265915-0.inchi |
| InChIKey | MCULE-5647265915-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867627061 | 96 | As is | in stock |
| P-875790582 | N/A | As is | in stock |
| P-590397126 | N/A | As is | in stock |
| P-903142061 | 96 | As is | 700 g |
| P-901167537 | 98 | As is | in stock |
| P-606945959 | N/A | As is | in stock |
| P-489149094 | 97 | As is | in stock |
| P-489158893 | 97 | As is | in stock |
| P-596965764 | 96 | As is | 300 g |
| P-494335704 | 95 | As is | by resynthesis (? - ? days) |
| P-864111529 | 95 | As is | in stock |
| P-590632314 | 96 | As is | 42.25 g |
| P-901530922 | 95 | As is | by synthesis |
| P-851307396 | 95 | As is | by synthesis |
| P-868582663 | 97 | As is | in stock |
| P-580401704 | 95 | As is | by resynthesis (? - ? days) |
| P-862029086 | 98 | As is | 106.5 g |
| P-905345871 | 98 | As is | 106.5 g |
| P-18808040 | 95 | As is | 382.385 g |
| P-454411033 | 95 | As is | 382.385 g |
| P-31258605 | 90 | As is | unavailable |
| P-580459762 | 97 | As is | by synthesis |
| P-852388503 | N/A | As is | in stock |
| P-867944186 | 95 | As is | in stock |
| P-889883047 | 95 | As is | by synthesis |
| P-502372299 | 90 | As is | in stock |
| P-906772699 | 98 | As is | by synthesis |
| P-611402247 | 90 | As is | in stock |
| P-893939193 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 205.074 |
| logP | 2.7132 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 45.31 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 42.2135 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 5 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
