D422-2529 Screening compound: N-(2-ethoxyphenyl)-3-[3-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide

D422-2529 Screening compound: N-(2-ethoxyphenyl)-3-[3-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
D422-2529 Screening compound: N-(2-ethoxyphenyl)-3-[3-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D422-2529
N-(2-ethoxyphenyl)-3-[3-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide

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

D422-2529

Molecular Formula

C21H24N4O4 (C21 H24 N4 O4)

Compound Name

N-(2-ethoxyphenyl)-3-[3-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide

IUPAC name

N-(2-ethoxyphenyl)-3-[3-(1-ethyl-6-methyl-2-oxo-12-dihydropyridin-3-yl)-124-oxadiazol-5-yl]propanamide

SMILES

CCN(C(C)=CC=C1c2noc(CCC(Nc(cccc3)c3OCC)=O)n2)C1=O

InChI

InChI=1S/C21H24N4O4/c1-4-25-14(3)10-11-15(21(25)27)20-23-19(29-24-20)13-12-18(26)22-16-8-6-7-9-17(16)28-5-2/h6-11H,4-5,12-13H2,1-3H3,(H,22,26)

InChI Key

ZQGSXAOKWLCWJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

2.670

Water Solubility, LogSw

-2.92

Polar Surface Area

76.156

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D422-2529 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 D422-2529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D422-2529?
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What is the minimum amount of D422-2529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D422-2529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D422-2529
  • 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 D422-2529 available by request