Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7958042671
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 | 39 USD | 95 | 15 working days | Get Quote |
| 5 mg | 54 USD | 90 | 22 working days | Get Quote |
| 10 mg | 70 USD | 90 | 22 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-7958042671.sdf |
| SMILES | MCULE-7958042671.smiles |
| Standard InChI | MCULE-7958042671.inchi |
| InChIKey | MCULE-7958042671.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867427953 | 95 | As is | by synthesis |
| P-904031889 | N/A | As is | by synthesis |
| P-869646160 | 90 | As is | 591 mg |
| P-901341577 | 95 | As is | by synthesis |
| P-905593954 | 95 | As is | by synthesis |
| P-4582257 | 90 | As is | 100 mg |
| P-3427825 | 90 | As is | 143 mg |
| P-425220127 | 90 | As is | in stock |
| P-502594105 | 90 | As is | in stock |
| P-12402367 | 95 | As is | 112 mg |
| P-31173587 | 90 | As is | 2 g |
| P-14074725 | 90 | As is | 7 mg |
| P-35201606 | 90 | As is | 1.308 kg |
| P-874437571 | 95 | As is | by synthesis |
| P-12417732 | 90 | As is | 50 mg |
| P-18833116 | 90 | As is | in stock |
| P-888357261 | 94 | As is | by resynthesis (? - ? days) |
| P-1029944 | 90 | As is | 220 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 363.833 |
| logP | 4.0298 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 64.63 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 100.3267 |
| Atoms | 47 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 22 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
