D422-2514 Screening compound: N-(2,5-dimethylphenyl)-3-[3-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide

D422-2514 Screening compound: N-(2,5-dimethylphenyl)-3-[3-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
D422-2514 Screening compound: N-(2,5-dimethylphenyl)-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 D422-2514
N-(2,5-dimethylphenyl)-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

D422-2514

Molecular Formula

C21H24N4O3 (C21 H24 N4 O3)

Compound Name

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

IUPAC name

N-(25-dimethylphenyl)-3-[3-(1-ethyl-6-methyl-2-oxo-12-dihydropyridin-3-yl)-124-oxadiazol-5-yl]propanamide

SMILES

CCN(C(C)=CC=C1c2noc(CCC(Nc3c(C)ccc(C)c3)=O)n2)C1=O

InChI

InChI=1S/C21H24N4O3/c1-5-25-15(4)8-9-16(21(25)27)20-23-19(28-24-20)11-10-18(26)22-17-12-13(2)6-7-14(17)3/h6-9,12H,5,10-11H2,1-4H3,(H,22,26)

InChI Key

QVXDNYRWWWIVOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

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

2.537

Distribution Coefficient, logD

2.537

Water Solubility, LogSw

-2.81

Polar Surface Area

68.946

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D422-2514 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 D422-2514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D422-2514?
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What is the minimum amount of D422-2514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D422-2514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D422-2514
  • 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 D422-2514 available by request