4466-2456 Screening compound: 2-(4-bromophenyl)-3-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydroquinazolin-4-one

4466-2456 Screening compound: 2-(4-bromophenyl)-3-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydroquinazolin-4-one
4466-2456 Screening compound: 2-(4-bromophenyl)-3-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4466-2456
2-(4-bromophenyl)-3-[2-(2-methoxyphenoxy)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

4466-2456

Molecular Formula

C23H19BrN2O3 (C23 H19 BrN2 O3)

Compound Name

2-(4-bromophenyl)-3-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydroquinazolin-4-one

IUPAC name

2-(4-bromophenyl)-3-[2-(2-methoxyphenoxy)ethyl]-34-dihydroquinazolin-4-one

SMILES

COc(cccc1)c1OCCN(C(c(cc1)ccc1Br)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C23H19BrN2O3/c1-28-20-8-4-5-9-21(20)29-15-14-26-22(16-10-12-17(24)13-11-16)25-19-7-3-2-6-18(19)23(26)27/h2-13H,14-15H2,1H3

InChI Key

RJJFUDXKQJKXMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03141934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.718

Distribution Coefficient, logD

4.718

Water Solubility, LogSw

-4.49

Polar Surface Area

40.463

Acid Dissociation Constant (pKa)

30.61

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4466-2456 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 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

References: we are preparing a list of scientific research reports with 4466-2456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4466-2456?
Check Price and Availability of 4466-2456, 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 4466-2456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4466-2456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4466-2456
  • 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 4466-2456 available by request