Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6153734702
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 | 14 USD | 98 | 14 working days | Get Quote |
| 5 mg | 30 USD | 98 | 20 working days | Get Quote |
| 10 mg | 37 USD | 98 | 20 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.
| Name | File |
|---|---|
| SDF | MCULE-6153734702.sdf |
| SMILES | MCULE-6153734702.smiles |
| Standard InChI | MCULE-6153734702.inchi |
| InChIKey | MCULE-6153734702.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875831319 | 98 | As is | in stock |
| P-903206628 | 98 | As is | 3 g |
| P-892412844 | 98 | As is | 2.148 g |
| P-1275191212 | 98 | As an isomer | in stock |
| P-1270306041 | 98 | As an isomer | in stock |
| P-888730884 | N/A | As an isomer | in stock |
| P-597010652 | 98 | As an isomer | 500 mg |
| P-864147831 | 99 | As an isomer | in stock |
| P-893230759 | 95 | As an isomer | in stock |
| P-862030556 | 95 | As an isomer | 3 g |
| P-675219252 | 95 | As an isomer | in stock |
| P-855953381 | 97 | As an isomer | 5 mg |
| P-869176311 | 95 | As an isomer | in stock |
| P-892271364 | 95 | As an isomer | unavailable |
| P-892292849 | 95 | As an isomer | unavailable |
| P-892349029 | 95 | As an isomer | unavailable |
| P-464642852 | 95 | As an isomer | 94 mg |
| P-892327987 | 95 | As an isomer | 94 mg |
| P-611401251 | 90 | As an isomer | in stock |
| P-611358291 | 90 | As an isomer | in stock |
| P-1271681672 | 98 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 218.334 |
| logP | 4.3585 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 70.883 |
| Atoms | 38 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 22 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 | 2 |
| Cis/trans stereo double bonds | 2 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
