Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9696342713-0
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 | 11 USD | 95 | 8 working days | Get Quote |
| 5 mg | 11 USD | 95 | 8 working days | Get Quote |
| 10 mg | 11 USD | 95 | 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.
-
1
MCULE-9943948107-0
- Component type: Main
-
1
MCULE-3188569799-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9696342713-0.sdf |
| SMILES | MCULE-9696342713-0.smiles |
| Standard InChI | MCULE-9696342713-0.inchi |
| InChIKey | MCULE-9696342713-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489170209 | 97 | As is | in stock |
| P-893111221 | N/A | Main component | by synthesis |
| P-881661312 | 98 | Main component | in stock |
| P-869329939 | N/A | Main component | in stock |
| P-895936369 | 95 | Main component | by resynthesis (? - ? days) |
| P-494305630 | 95 | Main component | 750 g |
| P-889740602 | 95 | Main component | 1.25 kg |
| P-893235336 | 95 | Main component | in stock |
| P-578049433 | 98 | Main component | in stock |
| P-861280310 | 97 | Main component | in stock |
| P-580432369 | 95 | Main component | by resynthesis (? - ? days) |
| P-905327141 | N/A | Main component | 659 g |
| P-500417921 | 99 | Main component | in stock |
| P-500417922 | 99 | Main component | in stock |
| P-870663311 | N/A | Main component | in stock |
| P-870661877 | 78 | Main component | in stock |
| P-870661878 | N/A | Main component | in stock |
| P-856041360 | 90 | Main component | 10 g |
| P-31275263 | 90 | Main component | 10 g |
| P-601099842 | 95 | Main component | 148 mg |
| P-601057095 | 90 | Main component | 148 mg |
| P-852467113 | N/A | Main component | in stock |
| P-888171861 | 98 | Main component | by synthesis |
| P-492279833 | 90 | Main component | 5 g |
| P-26433488 | 90 | Main component | 5 g |
| P-885560152 | 95 | Main component | by synthesis |
| P-519886435 | 90 | Main component | in stock |
| P-903644854 | 94 | Main component | by resynthesis (? - ? days) |
| P-611381693 | 90 | Main component | in stock |
| P-855031643 | 90 | Main component | in stock |
| P-855031644 | 90 | Main component | in stock |
| P-855031645 | 90 | Main component | in stock |
| P-855031646 | 90 | Main component | in stock |
| P-855031647 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 176.192 |
| logP | 1.939 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 0 |
| PSA | 96.97 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 42.0001 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
