Loading ...
Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »


Product Show structure
In order to add this molecule to a collection you have to create an account.   Sign up for free
  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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  Help
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 377 USD 90 38 working days Get Quote
5 mg 507 USD 90 38 working days Get Quote
10 mg 507 USD 90 38 working days Get Quote
New customers are eligible for 10% discount if indicated at the time of ordering.
  1. Get quote for multiple compounds
  2. Get custom quote

Name File
SDF P-647989710.sdf
SMILES P-647989710.smiles
Standard InChI P-647989710.inchi
InChIKey P-647989710.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-647989710 Otava Tangible screening compounds 90 by synthesis April 22, 2021
Property Value
Components 1
Mass 280.748
logP 1.975
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 5
PSA 49.41
RO5 violations 0
RO3 violations 2
Refractivity 77.9732
Atoms 36
Rings 2
Heavy atoms 19
Hydrogen atoms 17
Heteroatoms 5
N/O atoms 4
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