D420-5024 Screening compound: 3-[3-(2-hydroxy-7-methylquinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide

D420-5024 Screening compound: 3-[3-(2-hydroxy-7-methylquinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
D420-5024 Screening compound: 3-[3-(2-hydroxy-7-methylquinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D420-5024
3-[3-(2-hydroxy-7-methylquinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]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

D420-5024

Molecular Formula

C23H22N4O3 (C23 H22 N4 O3)

Compound Name

3-[3-(2-hydroxy-7-methylquinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide

IUPAC name

3-[3-(2-hydroxy-7-methylquinolin-3-yl)-124-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide

SMILES

Cc1ccc(CNC(CCc2nc(-c3cc4ccc(C)cc4nc3O)no2)=O)cc1

InChI

InChI=1S/C23H22N4O3/c1-14-3-6-16(7-4-14)13-24-20(28)9-10-21-26-22(27-30-21)18-12-17-8-5-15(2)11-19(17)25-23(18)29/h3-8,11-12H,9-10,13H2,1-2H3,(H,24,28)(H,25,29)

InChI Key

RMJVEPCGYVJZGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.972

Distribution Coefficient, logD

3.502

Water Solubility, LogSw

-4.08

Polar Surface Area

81.072

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D420-5024 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 D420-5024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D420-5024?
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What is the minimum amount of D420-5024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D420-5024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D420-5024
  • 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 D420-5024 available by request