Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6002400995
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 | 13 USD | 98 | 20 working days | Get Quote |
| 5 mg | 13 USD | 98 | 20 working days | Get Quote |
| 10 mg | 13 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-6002400995.sdf |
| SMILES | MCULE-6002400995.smiles |
| Standard InChI | MCULE-6002400995.inchi |
| InChIKey | MCULE-6002400995.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886580051 | 97 | As is | in stock |
| P-875764893 | 97 | As is | in stock |
| P-597018060 | 95 | As is | unavailable |
| P-853436713 | 95 | As is | by resynthesis (? - ? days) |
| P-903101907 | 98 | As is | 150 g |
| P-905490154 | 98 | As is | 10 g |
| P-1270308872 | 97 | As is | in stock |
| P-904027215 | N/A | As is | in stock |
| P-489138032 | 97 | As is | in stock |
| P-868829319 | 98 | As is | 50 g |
| P-866719431 | 95 | As is | by resynthesis (? - ? days) |
| P-866727856 | 95 | As is | 16.79 g |
| P-887314612 | 95 | As is | in stock |
| P-1274434683 | 97 | As is | 7 g |
| P-901524899 | 95 | As is | by synthesis |
| P-851311185 | 95 | As is | by synthesis |
| P-868566955 | 97 | As is | in stock |
| P-905343920 | 98 | As is | 80 g |
| P-862022513 | 98 | As is | 110.54 g |
| P-454398760 | 97 | As is | 116 mg |
| P-454311960 | 97 | As is | 116 mg |
| P-852553854 | N/A | As is | by synthesis |
| P-852553883 | N/A | As is | by synthesis |
| P-868742231 | 95 | As is | in stock |
| P-1271691210 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 162.145 |
| logP | 0.6287 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 65.98 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 44.3867 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| 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 |
