D469-0398 Screening compound: 5-ethyl-5-methyl-3-phenyl-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2,4-dione

D469-0398 Screening compound: 5-ethyl-5-methyl-3-phenyl-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2,4-dione
D469-0398 Screening compound: 5-ethyl-5-methyl-3-phenyl-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D469-0398
5-ethyl-5-methyl-3-phenyl-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

D469-0398

Molecular Formula

C21H20N2O2 (C21 H20 N2 O2)

Compound Name

5-ethyl-5-methyl-3-phenyl-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2,4-dione

IUPAC name

5-ethyl-5-methyl-3-phenyl-1H2H3H4H5H6H-benzo[h]quinazoline-24-dione

SMILES

CCC(C)(Cc1c2cccc1)C(C(N1c3ccccc3)=O)=C2NC1=O

InChI

InChI=1S/C21H20N2O2/c1-3-21(2)13-14-9-7-8-12-16(14)18-17(21)19(24)23(20(25)22-18)15-10-5-4-6-11-15/h4-12H,3,13H2,1-2H3,(H,22,25)/t21-/m0/s1

InChI Key

HACZLISJRZWEDN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14830575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-3.96

Polar Surface Area

39.726

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D469-0398 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D469-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D469-0398?
Check Price and Availability of D469-0398, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D469-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D469-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D469-0398
  • 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 D469-0398 available by request