Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1069558387-0
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 | 27 USD | 95 | 7 working days | Get Quote |
| 5 mg | 27 USD | 95 | 7 working days | Get Quote |
| 10 mg | 30 USD | 98 | 16 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-1069558387-0.sdf |
| SMILES | MCULE-1069558387-0.smiles |
| Standard InChI | MCULE-1069558387-0.inchi |
| InChIKey | MCULE-1069558387-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867673556 | 98 | As is | in stock |
| P-875847852 | N/A | As is | in stock |
| P-869266135 | 95 | As is | in stock |
| P-903226439 | 97 | As is | 10 g |
| P-1264055017 | 95 | As is | in stock |
| P-893599210 | 90 | As is | 45.415 g |
| P-851927935 | N/A | As is | in stock |
| P-873298320 | 98 | As is | 2 g |
| P-895926268 | 95 | As is | by resynthesis (? - ? days) |
| P-889572902 | 95 | As is | in stock |
| P-907573535 | 98 | As is | by synthesis |
| P-901419871 | 95 | As is | by synthesis |
| P-4916182 | 90 | As is | 100 mg |
| P-4928708 | 90 | As is | 51 mg |
| P-105101 | 90 | As is | 374 mg |
| P-861286984 | 98 | As is | in stock |
| P-861379866 | 95 | As is | by synthesis |
| P-34672675 | 90 | As is | by synthesis |
| P-868658612 | 95 | As is | in stock |
| P-862148909 | 97 | As is | 10 g |
| P-855956895 | 97 | As is | 250 mg |
| P-854719093 | 95 | As is | in stock |
| P-872674835 | 95 | As is | in stock |
| P-878642977 | 98 | As is | in stock |
| P-24027072 | 90 | As is | in stock |
| P-12442795 | 90 | As is | 93 mg |
| P-869110789 | 95 | As is | by synthesis |
| P-892287635 | 95 | As is | unavailable |
| P-888628943 | 95 | As is | 99 mg |
| P-22577391 | 90 | As is | in stock |
| P-2347246 | 90 | As is | 115 mg |
| P-893942445 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 323.350 |
| logP | 4.36966 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 90.9 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 96.9344 |
| Atoms | 38 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
