MCULE-6614496113-0
- 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 | 24 USD | 95 | 27 working days | Get Quote |
| 5 mg | 24 USD | 95 | 27 working days | Get Quote |
| 10 mg | 24 USD | 95 | 27 working days | Get Quote |
- 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-2376673346-2
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6614496113-0.sdf |
| SMILES | MCULE-6614496113-0.smiles |
| Standard InChI | MCULE-6614496113-0.inchi |
| InChIKey | MCULE-6614496113-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-895928383 | 95 | As is | by resynthesis (? - ? days) |
| P-864161152 | 95 | As is | in stock |
| P-893253967 | 95 | As is | by synthesis |
| P-851268324 | 95 | As is | by synthesis |
| P-868661139 | 95 | As is | in stock |
| P-905435157 | N/A | As is | 888.453 g |
| P-617980674 | 95 | As is | 152 mg |
| P-855992589 | 97 | As is | 3.595 g |
| P-855910208 | 97 | As is | 500 g |
| P-856077767 | 99 | As is | 5 kg |
| P-856021113 | 90 | As is | 10 g |
| P-854715499 | 95 | As is | in stock |
| P-904073500 | 95 | As is | in stock |
| P-871073695 | 95 | As is | in stock |
| P-579711023 | N/A | As is | in stock |
| P-896083783 | N/A | As is | 117 mg |
| P-869107507 | 95 | As is | by synthesis |
| P-892286113 | 95 | As is | 2.509 g |
| P-888626541 | 95 | As is | 2.509 g |
| P-617802010 | 90 | As is | 35 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 274.249 |
| logP | 1.6109 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 64.52 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 76.8352 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 1 |
| 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 |

