Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8287349358
Compound
Show structures
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 | 198 USD | 99 | 8 working days | Get Quote |
| 5 mg | 198 USD | 99 | 8 working days | Get Quote |
| 10 mg | 198 USD | 99 | 8 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.
-
MCULE-2781081887
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8287349358.sdf |
| SMILES | MCULE-8287349358.smiles |
| Standard InChI | MCULE-8287349358.inchi |
| InChIKey | MCULE-8287349358.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903061752 | 98 | As is | 70 mg |
| P-893599345 | 90 | As is | 5 mg |
| P-489120316 | 97 | As is | in stock |
| P-890227750 | 95 | As is | by synthesis |
| P-889037981 | 95 | As is | by synthesis |
| P-861976226 | 98 | As is | 5 mg |
| P-872798159 | 95 | As is | in stock |
| P-871074997 | 95 | As is | in stock |
| P-895707884 | 95 | As a main component | by synthesis |
| P-852190595 | 98 | As an isomer | by synthesis |
| P-596651429 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-868545813 | 99 | As an isomer | in stock |
| P-580450609 | 99 | As an isomer | in stock |
| P-870661473 | 99 | As an isomer | in stock |
| P-870661623 | 99 | As an isomer | in stock |
| P-619803813 | 96 | As an isomer | in stock |
| P-899784064 | 97 | As an isomer | 50 mg |
| P-580504676 | N/A | As an isomer | by synthesis |
| P-611527636 | 90 | As an isomer | in stock |
| P-855051426 | 90 | As an isomer | in stock |
| P-854668023 | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 186.165 |
| logP | -0.069 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 109.32 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 43.3539 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
