K505-0261 Screening compound: 3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,4,5-trimethoxyphenyl)-1-ethenyl]-4(3H)-quinazolinone

K505-0261 Screening compound: 3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,4,5-trimethoxyphenyl)-1-ethenyl]-4(3H)-quinazolinone
K505-0261 Screening compound: 3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,4,5-trimethoxyphenyl)-1-ethenyl]-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound K505-0261
3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,4,5-trimethoxyphenyl)-1-ethenyl]-4(3H)-quinazolinone

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

K505-0261

Molecular Formula

C25H20ClFN2O4 (C25 H20 ClFN2 O4)

Compound Name

3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,4,5-trimethoxyphenyl)-1-ethenyl]-4(3H)-quinazolinone

IUPAC name

3-(3-chloro-4-fluorophenyl)-2-[(1E)-2-(245-trimethoxyphenyl)ethenyl]-34-dihydroquinazolin-4-one

SMILES

COc(cc1OC)c(/C=C/C(N2c(cc3)cc(Cl)c3F)=Nc(cccc3)c3C2=O)cc1OC

InChI

InChI=1S/C25H20ClFN2O4/c1-31-21-14-23(33-3)22(32-2)12-15(21)8-11-24-28-20-7-5-4-6-17(20)25(30)29(24)16-9-10-19(27)18(26)13-16/h4-14H,1-3H3

InChI Key

WICJOBHIQFECBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.001

Distribution Coefficient, logD

4.001

Water Solubility, LogSw

-4.50

Polar Surface Area

47.485

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

K505-0261 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 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 K505-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K505-0261?
Check Price and Availability of K505-0261, 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 K505-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K505-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K505-0261
  • 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 K505-0261 available by request