D163-0886 Screening compound: 2-[(2-oxo-2,3-dihydro-1H-indol-3-yl)methyl]-3-phenyl-3,4-dihydroquinazolin-4-one

D163-0886 Screening compound: 2-[(2-oxo-2,3-dihydro-1H-indol-3-yl)methyl]-3-phenyl-3,4-dihydroquinazolin-4-one
D163-0886 Screening compound: 2-[(2-oxo-2,3-dihydro-1H-indol-3-yl)methyl]-3-phenyl-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D163-0886
2-[(2-oxo-2,3-dihydro-1H-indol-3-yl)methyl]-3-phenyl-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

D163-0886

Molecular Formula

C23H17N3O2 (C23 H17 N3 O2)

Compound Name

2-[(2-oxo-2,3-dihydro-1H-indol-3-yl)methyl]-3-phenyl-3,4-dihydroquinazolin-4-one

IUPAC name

2-[(2-oxo-23-dihydro-1H-indol-3-yl)methyl]-3-phenyl-34-dihydroquinazolin-4-one

SMILES

O=C(C1CC(N2c3ccccc3)=Nc(cccc3)c3C2=O)Nc2c1cccc2

InChI

InChI=1S/C23H17N3O2/c27-22-18(16-10-4-6-12-19(16)25-22)14-21-24-20-13-7-5-11-17(20)23(28)26(21)15-8-2-1-3-9-15/h1-13,18H,14H2,(H,25,27)/t18-/m0/s1

InChI Key

QIAMVYAWUXHATM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01456364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.610

Distribution Coefficient, logD

2.605

Water Solubility, LogSw

-3.58

Polar Surface Area

49.838

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

D163-0886 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 D163-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0886?
Check Price and Availability of D163-0886, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D163-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0886
  • 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 D163-0886 available by request