K289-0317 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-[4-(morpholine-4-carbonyl)phenyl]-3,4-dihydroquinazolin-4-one

K289-0317 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-[4-(morpholine-4-carbonyl)phenyl]-3,4-dihydroquinazolin-4-one
K289-0317 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-[4-(morpholine-4-carbonyl)phenyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0317
2-{[(4-chlorophenyl)methyl]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

K289-0317

Molecular Formula

C26H22ClN3O3S (C26 H22 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1N1C(SCc(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)N1CCOCC1

InChI

InChI=1S/C26H22ClN3O3S/c27-20-9-5-18(6-10-20)17-34-26-28-23-4-2-1-3-22(23)25(32)30(26)21-11-7-19(8-12-21)24(31)29-13-15-33-16-14-29/h1-12H,13-17H2

InChI Key

HIOPFPUFUDWTHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.247

Distribution Coefficient, logD

3.247

Water Solubility, LogSw

-4.04

Polar Surface Area

49.716

Acid Dissociation Constant (pKa)

28.82

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

K289-0317 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

PI3K-Targeted Library (17255 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
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K289-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0317?
Check Price and Availability of K289-0317, 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 K289-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0317
  • 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 K289-0317 available by request