D469-0427 Screening compound: 3-(2-methoxyphenyl)-5,5-dimethyl-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2,4-dione

D469-0427 Screening compound: 3-(2-methoxyphenyl)-5,5-dimethyl-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2,4-dione
D469-0427 Screening compound: 3-(2-methoxyphenyl)-5,5-dimethyl-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D469-0427
3-(2-methoxyphenyl)-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

D469-0427

Molecular Formula

C21H20N2O3 (C21 H20 N2 O3)

Compound Name

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

IUPAC name

3-(2-methoxyphenyl)-55-dimethyl-1H2H3H4H5H6H-benzo[h]quinazoline-24-dione

SMILES

CC(C)(Cc1c2cccc1)C(C(N1c(cccc3)c3OC)=O)=C2NC1=O

InChI

InChI=1S/C21H20N2O3/c1-21(2)12-13-8-4-5-9-14(13)18-17(21)19(24)23(20(25)22-18)15-10-6-7-11-16(15)26-3/h4-11H,12H2,1-3H3,(H,22,25)

InChI Key

OBRJZMUVCCIFFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.626

Distribution Coefficient, logD

3.589

Water Solubility, LogSw

-3.86

Polar Surface Area

47.056

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D469-0427 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 D469-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D469-0427?
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What is the minimum amount of D469-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D469-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D469-0427
  • 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 D469-0427 available by request