Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9642233758
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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-9642233758.sdf |
| SMILES | MCULE-9642233758.smiles |
| Standard InChI | MCULE-9642233758.inchi |
| InChIKey | MCULE-9642233758.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867508791 | N/A | As is | by synthesis |
| P-597025177 | 98 | As is | in stock |
| P-869182145 | 95 | As is | in stock |
| P-588248144 | 98 | As is | in stock |
| P-903206811 | 98 | As is | 3.5 kg |
| P-905478735 | 96 | As is | 1000 mg |
| P-580239552 | 95 | As is | by synthesis |
| P-851934976 | N/A | As is | in stock |
| P-872723622 | 98 | As is | in stock |
| P-579785216 | 95 | As is | by resynthesis (? - ? days) |
| P-864101650 | 95 | As is | in stock |
| P-481170382 | 95 | As is | 4.5 g |
| P-851206357 | 95 | As is | 1000 mg |
| P-868603866 | 98 | As is | in stock |
| P-580427837 | 95 | As is | by resynthesis (? - ? days) |
| P-905334152 | 95 | As is | 35 g |
| P-861971356 | 95 | As is | 238.086 g |
| P-870647444 | N/A | As is | in stock |
| P-870647474 | 98 | As is | in stock |
| P-870648125 | 98 | As is | in stock |
| P-505520828 | 95 | As is | in stock |
| P-454420272 | 95 | As is | 100 g |
| P-454421415 | 95 | As is | 500 g |
| P-615648723 | 95 | As is | in stock |
| P-579614142 | 95 | As is | 1000 g |
| P-613284605 | 95 | As is | by synthesis |
| P-580510950 | 95 | As is | 139 g |
| P-852451744 | N/A | As is | in stock |
| P-885550335 | 95 | As is | by synthesis |
| P-502372018 | 90 | As is | in stock |
| P-906901737 | 98 | As is | in stock |
| P-906776949 | 98 | As is | by synthesis |
| P-906775511 | 98 | As is | by synthesis |
| P-611529402 | 90 | As is | in stock |
| P-611351230 | 90 | As is | in stock |
| P-615393010 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 119.119 |
| logP | -0.519 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 83.55 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 26.983 |
| Atoms | 17 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
