D163-0848 Screening compound: 3-(4-chlorophenyl)-2-[(1E)-2-(1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one

D163-0848 Screening compound: 3-(4-chlorophenyl)-2-[(1E)-2-(1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one
D163-0848 Screening compound: 3-(4-chlorophenyl)-2-[(1E)-2-(1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D163-0848
3-(4-chlorophenyl)-2-[(1E)-2-(1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-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

D163-0848

Molecular Formula

C24H16ClN3O (C24 H16 ClN3 O)

Compound Name

3-(4-chlorophenyl)-2-[(1E)-2-(1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one

IUPAC name

3-(4-chlorophenyl)-2-[(1E)-2-(1H-indol-3-yl)ethenyl]-34-dihydroquinazolin-4-one

SMILES

O=C(c(cccc1)c1N=C1/C=C/c2c[nH]c3c2cccc3)N1c(cc1)ccc1Cl

InChI

InChI=1S/C24H16ClN3O/c25-17-10-12-18(13-11-17)28-23(27-22-8-4-2-6-20(22)24(28)29)14-9-16-15-26-21-7-3-1-5-19(16)21/h1-15,26H

InChI Key

LGVQUMNDPLBPJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03678859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.778

Distribution Coefficient, logD

4.777

Water Solubility, LogSw

-5.11

Polar Surface Area

34.465

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D163-0848 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D163-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0848?
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What is the minimum amount of D163-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0848
  • 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 D163-0848 available by request