D163-0806 Screening compound: 2-[(1E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)-3,4-dihydroquinazolin-4-one

D163-0806 Screening compound: 2-[(1E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)-3,4-dihydroquinazolin-4-one
D163-0806 Screening compound: 2-[(1E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D163-0806
2-[(1E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)-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

D163-0806

Molecular Formula

C26H21N3O3 (C26 H21 N3 O3)

Compound Name

2-[(1E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-[(1E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)-34-dihydroquinazolin-4-one

SMILES

COc(cc1)cc2c1[nH]cc2/C=C/C(N1c(cccc2)c2OC)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C26H21N3O3/c1-31-18-12-13-21-20(15-18)17(16-27-21)11-14-25-28-22-8-4-3-7-19(22)26(30)29(25)23-9-5-6-10-24(23)32-2/h3-16,27H,1-2H3

InChI Key

TXBSSJNRBLLGRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05682782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.095

Distribution Coefficient, logD

4.094

Water Solubility, LogSw

-4.40

Polar Surface Area

49.338

Acid Dissociation Constant (pKa)

18.40

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

D163-0806 in Drug Discovery

Included in Screening Libraries

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 D163-0806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0806?
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What is the minimum amount of D163-0806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0806
  • 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 D163-0806 available by request