Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6439127315
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 | 95 | 20 working days | Get Quote |
| 5 mg | 18 USD | 95 | 20 working days | Get Quote |
| 10 mg | 18 USD | 95 | 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-6439127315.sdf |
| SMILES | MCULE-6439127315.smiles |
| Standard InChI | MCULE-6439127315.inchi |
| InChIKey | MCULE-6439127315.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886538892 | 95 | As is | in stock |
| P-853426577 | 95 | As is | in stock |
| P-903044631 | 95 | As is | 20 g |
| P-893608934 | 90 | As is | 37.3 g |
| P-887311795 | N/A | As is | in stock |
| P-888814516 | 95 | As is | 3 g |
| P-889780550 | 95 | As is | in stock |
| P-890247232 | 95 | As is | 2.2 g |
| P-893238571 | 95 | As is | in stock |
| P-868563777 | 95 | As is | in stock |
| P-889296599 | 95 | As is | 3 g |
| P-888624460 | 95 | As is | 100 mg |
| P-874461993 | 95 | As is | by synthesis |
| P-878642768 | 98 | As is | in stock |
| P-869163739 | 95 | As is | by synthesis |
| P-892299889 | 95 | As is | unavailable |
| P-888659059 | 95 | As is | 150 mg |
| P-906767349 | 95 | As is | by synthesis |
| P-611364160 | 90 | As is | in stock |
| P-894011400 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 499.810 |
| logP | 3.1986 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 71.5523 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 3 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
