D420-5123 Screening compound: N-ethyl-3-[3-(2-hydroxy-8-methylquinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

D420-5123 Screening compound: N-ethyl-3-[3-(2-hydroxy-8-methylquinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
D420-5123 Screening compound: N-ethyl-3-[3-(2-hydroxy-8-methylquinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D420-5123
N-ethyl-3-[3-(2-hydroxy-8-methylquinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

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

D420-5123

Molecular Formula

C23H22N4O3 (C23 H22 N4 O3)

Compound Name

N-ethyl-3-[3-(2-hydroxy-8-methylquinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

IUPAC name

N-ethyl-3-[3-(2-hydroxy-8-methylquinolin-3-yl)-124-oxadiazol-5-yl]-N-phenylpropanamide

SMILES

CCN(C(CCc1nc(-c2cc3cccc(C)c3nc2O)no1)=O)c1ccccc1

InChI

InChI=1S/C23H22N4O3/c1-3-27(17-10-5-4-6-11-17)20(28)13-12-19-24-22(26-30-19)18-14-16-9-7-8-15(2)21(16)25-23(18)29/h4-11,14H,3,12-13H2,1-2H3,(H,25,29)

InChI Key

MMIRVTZPIFJZSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

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

4.494

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-4.49

Polar Surface Area

72.463

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D420-5123 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D420-5123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D420-5123?
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What is the minimum amount of D420-5123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D420-5123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D420-5123
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D420-5123 available by request