Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1700464705-0
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 | 6 USD | 95 | 14 working days | Get Quote |
| 5 mg | 6 USD | 95 | 14 working days | Get Quote |
| 10 mg | 6 USD | 95 | 14 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-1700464705-0.sdf |
| SMILES | MCULE-1700464705-0.smiles |
| Standard InChI | MCULE-1700464705-0.inchi |
| InChIKey | MCULE-1700464705-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867577823 | 95 | As is | in stock |
| P-875737590 | 95 | As is | in stock |
| P-597027965 | 95 | As is | unavailable |
| P-1275195401 | 98 | As is | in stock |
| P-903067486 | 95 | As is | 50 g |
| P-893503698 | 90 | As is | 1.221 kg |
| P-907313496 | 95 | As is | by synthesis |
| P-1270330727 | 95 | As is | in stock |
| P-580242451 | 95 | As is | by synthesis |
| P-606904876 | N/A | As is | in stock |
| P-489179007 | 97 | As is | in stock |
| P-596931053 | 95 | As is | 50 g |
| P-494346603 | 95 | As is | 15.14 g |
| P-889445041 | 95 | As is | by synthesis |
| P-580732691 | 95 | As is | 6 g |
| P-851245440 | 95 | As is | by synthesis |
| P-861274214 | 95 | As is | in stock |
| P-868579862 | 97 | As is | in stock |
| P-580422932 | 95 | As is | by resynthesis (? - ? days) |
| P-905338937 | 95 | As is | 68 g |
| P-862000264 | 95 | As is | 416.418 g |
| P-505545353 | 95 | As is | in stock |
| P-504609206 | 90 | As is | by synthesis |
| P-454401953 | 95 | As is | 111.55 g |
| P-18791798 | 95 | As is | 111.549 g |
| P-579640498 | 95 | As is | by resynthesis (? - ? days) |
| P-31263913 | 90 | As is | unavailable |
| P-856044742 | 90 | As is | unavailable |
| P-1267085075 | 95 | As is | 8.33 g |
| P-601062471 | 90 | As is | 198 mg |
| P-14060996 | 95 | As is | 198 mg |
| P-580508994 | N/A | As is | by synthesis |
| P-1272572512 | 95 | As is | 2 g |
| P-852412452 | 95 | As is | by synthesis |
| P-519751954 | 97 | As is | in stock |
| P-35259348 | 97 | As is | in stock |
| P-865619296 | 95 | As is | in stock |
| P-885517368 | 95 | As is | by synthesis |
| P-596787999 | 95 | As is | 96.1 g |
| P-1274330768 | 95 | As is | unavailable |
| P-1274339342 | 95 | As is | 47 mg |
| P-1274351244 | 95 | As is | 47 mg |
| P-502367073 | 90 | As is | in stock |
| P-906905165 | 97 | As is | in stock |
| P-611596695 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 205.235 |
| logP | 2.5083 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 78.43 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 54.5093 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
