Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4671641448
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 | 18 USD | 98 | 20 working days | Get Quote |
| 5 mg | 18 USD | 98 | 20 working days | Get Quote |
| 10 mg | 18 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-4671641448.sdf |
| SMILES | MCULE-4671641448.smiles |
| Standard InChI | MCULE-4671641448.inchi |
| InChIKey | MCULE-4671641448.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867536478 | 98 | As is | in stock |
| P-875691566 | N/A | As is | in stock |
| P-869182874 | 95 | As is | in stock |
| P-588245565 | 98 | As is | in stock |
| P-903012840 | 97 | As is | 10 g |
| P-893569986 | 90 | As is | 276.677 g |
| P-870135900 | N/A | As is | in stock |
| P-596986220 | 98 | As is | 25 g |
| P-895925949 | 95 | As is | by resynthesis (? - ? days) |
| P-864175251 | 98 | As is | in stock |
| P-666959444 | 98 | As is | 6.35 g |
| P-517093600 | 90 | As is | in stock |
| P-851337862 | 95 | As is | by synthesis |
| P-861413735 | 95 | As is | by synthesis |
| P-862110261 | 95 | As is | 7.1 g |
| P-905352681 | 95 | As is | 2.25 g |
| P-596580611 | 97 | As is | 5 g |
| P-856012603 | 90 | As is | unavailable |
| P-888846992 | N/A | As is | by synthesis |
| P-856970083 | 95 | As is | by synthesis |
| P-873279433 | N/A | As is | in stock |
| P-23202802 | 94 | As is | by resynthesis (? - ? days) |
| P-906846137 | 97 | As is | by synthesis |
| P-611375807 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 308.286 |
| logP | -1.2546 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 9 |
| PSA | 93.22 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 80.828 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 16 |
| Heteroatoms | 8 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
