K289-0296 Screening compound: 3-[4-(morpholine-4-carbonyl)phenyl]-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one

K289-0296 Screening compound: 3-[4-(morpholine-4-carbonyl)phenyl]-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one
K289-0296 Screening compound: 3-[4-(morpholine-4-carbonyl)phenyl]-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0296
3-[4-(morpholine-4-carbonyl)phenyl]-2-[(2-oxo-2-phenylethyl)sulfanyl]-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

K289-0296

Molecular Formula

C27H23N3O4S (C27 H23 N3 O4 S)

Compound Name

3-[4-(morpholine-4-carbonyl)phenyl]-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazolin-4-one

IUPAC name

3-[4-(morpholine-4-carbonyl)phenyl]-2-[(2-oxo-2-phenylethyl)sulfanyl]-34-dihydroquinazolin-4-one

SMILES

O=C(CSC(N1c(cc2)ccc2C(N2CCOCC2)=O)=Nc(cccc2)c2C1=O)c1ccccc1

InChI

InChI=1S/C27H23N3O4S/c31-24(19-6-2-1-3-7-19)18-35-27-28-23-9-5-4-8-22(23)26(33)30(27)21-12-10-20(11-13-21)25(32)29-14-16-34-17-15-29/h1-13H,14-18H2

InChI Key

QEAHELKRZMXOQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.56

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

2.350

Distribution Coefficient, logD

2.350

Water Solubility, LogSw

-2.98

Polar Surface Area

62.963

Acid Dissociation Constant (pKa)

27.39

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

K289-0296 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

PI3K-Targeted Library (17255 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
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 K289-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0296?
Check Price and Availability of K289-0296, 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 K289-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0296
  • 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 K289-0296 available by request