K289-0411 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[4-(morpholine-4-carbonyl)phenyl]-3,4-dihydroquinazolin-4-one

K289-0411 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[4-(morpholine-4-carbonyl)phenyl]-3,4-dihydroquinazolin-4-one
K289-0411 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[4-(morpholine-4-carbonyl)phenyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0411
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[4-(morpholine-4-carbonyl)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

K289-0411

Molecular Formula

C27H22ClN3O4S (C27 H22 ClN3 O4 S)

Compound Name

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[4-(morpholine-4-carbonyl)phenyl]-3,4-dihydroquinazolin-4-one

IUPAC name

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[4-(morpholine-4-carbonyl)phenyl]-34-dihydroquinazolin-4-one

SMILES

O=C(CSC(N1c(cc2)ccc2C(N2CCOCC2)=O)=Nc(cccc2)c2C1=O)c(cc1)ccc1Cl

InChI

InChI=1S/C27H22ClN3O4S/c28-20-9-5-18(6-10-20)24(32)17-36-27-29-23-4-2-1-3-22(23)26(34)31(27)21-11-7-19(8-12-21)25(33)30-13-15-35-16-14-30/h1-12H,13-17H2

InChI Key

YFIUMAYGHYEFAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

3.049

Water Solubility, LogSw

-3.96

Polar Surface Area

62.963

Acid Dissociation Constant (pKa)

27.00

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

K289-0411 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with K289-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0411?
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What is the minimum amount of K289-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0411
  • 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 K289-0411 available by request