D469-0451 Screening compound: 3-(4-fluorophenyl)-5,5-dimethyl-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2,4-dione

D469-0451 Screening compound: 3-(4-fluorophenyl)-5,5-dimethyl-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2,4-dione
D469-0451 Screening compound: 3-(4-fluorophenyl)-5,5-dimethyl-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D469-0451
3-(4-fluorophenyl)-5,5-dimethyl-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

D469-0451

Molecular Formula

C20H17FN2O2 (C20 H17 FN2 O2)

Compound Name

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

IUPAC name

3-(4-fluorophenyl)-55-dimethyl-1H2H3H4H5H6H-benzo[h]quinazoline-24-dione

SMILES

CC(C)(Cc1c2cccc1)C(C(N1c(cc3)ccc3F)=O)=C2NC1=O

InChI

InChI=1S/C20H17FN2O2/c1-20(2)11-12-5-3-4-6-15(12)17-16(20)18(24)23(19(25)22-17)14-9-7-13(21)8-10-14/h3-10H,11H2,1-2H3,(H,22,25)

InChI Key

RGSYQXKLRBQPJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.796

Distribution Coefficient, logD

3.661

Water Solubility, LogSw

-4.01

Polar Surface Area

39.726

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D469-0451 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 D469-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D469-0451?
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What is the minimum amount of D469-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D469-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D469-0451
  • 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 D469-0451 available by request