D163-0698 Screening compound: 2-[(1E)-2-(1-ethyl-1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one

D163-0698 Screening compound: 2-[(1E)-2-(1-ethyl-1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one
D163-0698 Screening compound: 2-[(1E)-2-(1-ethyl-1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D163-0698
2-[(1E)-2-(1-ethyl-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

D163-0698

Molecular Formula

C20H17N3O (C20 H17 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(cccc2)c2c(/C=C/C(N2)=Nc(cccc3)c3C2=O)c1

InChI

InChI=1S/C20H17N3O/c1-2-23-13-14(15-7-4-6-10-18(15)23)11-12-19-21-17-9-5-3-8-16(17)20(24)22-19/h3-13H,2H2,1H3,(H,21,22,24)

InChI Key

SCXVMHLKMPTNFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01896751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

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

3.401

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-3.60

Polar Surface Area

36.629

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D163-0698 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 D163-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0698?
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What is the minimum amount of D163-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0698
  • 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 D163-0698 available by request