D163-0947 Screening compound: 2-[(5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)methyl]-3-ethyl-3,4-dihydroquinazolin-4-one

D163-0947 Screening compound: 2-[(5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)methyl]-3-ethyl-3,4-dihydroquinazolin-4-one
D163-0947 Screening compound: 2-[(5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)methyl]-3-ethyl-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D163-0947
2-[(5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)methyl]-3-ethyl-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

D163-0947

Molecular Formula

C20H18BrN3O2 (C20 H18 BrN3 O2)

Compound Name

2-[(5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)methyl]-3-ethyl-3,4-dihydroquinazolin-4-one

IUPAC name

2-[(5-bromo-1-methyl-2-oxo-23-dihydro-1H-indol-3-yl)methyl]-3-ethyl-34-dihydroquinazolin-4-one

SMILES

CCN(C(CC(c(cc(cc1)Br)c1N1C)C1=O)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C20H18BrN3O2/c1-3-24-18(22-16-7-5-4-6-13(16)20(24)26)11-15-14-10-12(21)8-9-17(14)23(2)19(15)25/h4-10,15H,3,11H2,1-2H3/t15-/m0/s1

InChI Key

IXRUIOXGCGLLCW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14813153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-3.43

Polar Surface Area

40.708

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D163-0947 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Protein Kinases Inhibitors Library (36801 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:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D163-0947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0947?
Check Price and Availability of D163-0947, 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 D163-0947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0947
  • 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 D163-0947 available by request