K289-0503 Screening compound: 4-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-(2-methoxyethyl)benzamide

K289-0503 Screening compound: 4-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-(2-methoxyethyl)benzamide
K289-0503 Screening compound: 4-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0503
4-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-(2-methoxyethyl)benzamide

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

K289-0503

Molecular Formula

C26H22BrN3O4S (C26 H22 BrN3 O4 S)

Compound Name

4-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-(2-methoxyethyl)benzamide

IUPAC name

4-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-34-dihydroquinazolin-3-yl)-N-(2-methoxyethyl)benzamide

SMILES

COCCNC(c(cc1)ccc1N1C(SCC(c(cc2)ccc2Br)=O)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C26H22BrN3O4S/c1-34-15-14-28-24(32)18-8-12-20(13-9-18)30-25(33)21-4-2-3-5-22(21)29-26(30)35-16-23(31)17-6-10-19(27)11-7-17/h2-13H,14-16H2,1H3,(H,28,32)

InChI Key

YHDKZDFWKOQBQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

3.525

Water Solubility, LogSw

-3.96

Polar Surface Area

71.275

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

K289-0503 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 K289-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0503?
Check Price and Availability of K289-0503, 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 K289-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0503
  • 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 K289-0503 available by request