D469-0447 Screening compound: 5,5-diethyl-3-(4-ethylphenyl)-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2,4-dione

D469-0447 Screening compound: 5,5-diethyl-3-(4-ethylphenyl)-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2,4-dione
D469-0447 Screening compound: 5,5-diethyl-3-(4-ethylphenyl)-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D469-0447
5,5-diethyl-3-(4-ethylphenyl)-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2,4-dione

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

D469-0447

Molecular Formula

C24H26N2O2 (C24 H26 N2 O2)

Compound Name

5,5-diethyl-3-(4-ethylphenyl)-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2,4-dione

IUPAC name

55-diethyl-3-(4-ethylphenyl)-1H2H3H4H5H6H-benzo[h]quinazoline-24-dione

SMILES

CCC(CC)(Cc1c2cccc1)C(C(N1c3ccc(CC)cc3)=O)=C2NC1=O

InChI

InChI=1S/C24H26N2O2/c1-4-16-11-13-18(14-12-16)26-22(27)20-21(25-23(26)28)19-10-8-7-9-17(19)15-24(20,5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,25,28)

InChI Key

CJTCSBNAPYMQCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.263

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-5.08

Polar Surface Area

39.726

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D469-0447 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 D469-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D469-0447?
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What is the minimum amount of D469-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D469-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D469-0447
  • 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 D469-0447 available by request