D222-0218 Screening compound: 4-{[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-chromen-2-one

D222-0218 Screening compound: 4-{[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-chromen-2-one
D222-0218 Screening compound: 4-{[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D222-0218
4-{[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-chromen-2-one

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

D222-0218

Molecular Formula

C25H28N2O6 (C25 H28 N2 O6)

Compound Name

4-{[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-chromen-2-one

IUPAC name

4-{[4-(24-dimethoxybenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-chromen-2-one

SMILES

CCOc(cc1)cc(C(CN(CC2)CCN2C(c(ccc(OC)c2)c2OC)=O)=C2)c1OC2=O

InChI

InChI=1S/C25H28N2O6/c1-4-32-19-6-8-22-21(14-19)17(13-24(28)33-22)16-26-9-11-27(12-10-26)25(29)20-7-5-18(30-2)15-23(20)31-3/h5-8,13-15H,4,9-12,16H2,1-3H3

InChI Key

YRYXTCRIIJYWCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.583

Distribution Coefficient, logD

2.582

Water Solubility, LogSw

-3.13

Polar Surface Area

63.132

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

D222-0218 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 D222-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D222-0218?
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What is the minimum amount of D222-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D222-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D222-0218
  • 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 D222-0218 available by request