P162-0893 Screening compound: 2-[5-(quinolin-6-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of ChemDiv screening compound P162-0893
2-[5-(quinolin-6-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
P162-0893
Molecular Formula
C20H13F3N4O3 (C20 H13 F3 N4 O3)
Compound Name
2-[5-(quinolin-6-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
IUPAC name
2-[5-(quinolin-6-yl)-134-oxadiazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILES
O=C(Cc1nnc(-c2cc3cccnc3cc2)o1)Nc(cc1)ccc1OC(F)(F)F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
414.34
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.839
Distribution Coefficient, logD
3.838
Water Solubility, LogSw
-3.94
Polar Surface Area
67.997
Acid Dissociation Constant (pKa)
12.56
Base Dissociation Constant (pKb)
4.66
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
10.00
P162-0893 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
SmartTM Library (51161 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Kinases
- Agro
References: we are preparing a list of scientific research reports with P162-0893 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)