K289-0159 Screening compound: N-(2-methoxyethyl)-4-[4-oxo-2-[(4-pyridylmethyl)sulfanyl]-3(4H)-quinazolinyl]benzamide

K289-0159 Screening compound: N-(2-methoxyethyl)-4-[4-oxo-2-[(4-pyridylmethyl)sulfanyl]-3(4H)-quinazolinyl]benzamide
K289-0159 Screening compound: N-(2-methoxyethyl)-4-[4-oxo-2-[(4-pyridylmethyl)sulfanyl]-3(4H)-quinazolinyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0159
N-(2-methoxyethyl)-4-[4-oxo-2-[(4-pyridylmethyl)sulfanyl]-3(4H)-quinazolinyl]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

K289-0159

Molecular Formula

C24H22N4O3S (C24 H22 N4 O3 S)

Compound Name

N-(2-methoxyethyl)-4-[4-oxo-2-[(4-pyridylmethyl)sulfanyl]-3(4H)-quinazolinyl]benzamide

IUPAC name

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

SMILES

COCCNC(c(cc1)ccc1N1C(SCc2ccncc2)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C24H22N4O3S/c1-31-15-14-26-22(29)18-6-8-19(9-7-18)28-23(30)20-4-2-3-5-21(20)27-24(28)32-16-17-10-12-25-13-11-17/h2-13H,14-16H2,1H3,(H,26,29)

InChI Key

HCULDWJETIZCBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.532

Distribution Coefficient, logD

1.525

Water Solubility, LogSw

-2.27

Polar Surface Area

67.457

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

K289-0159 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • 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 K289-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0159?
Check Price and Availability of K289-0159, 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 K289-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0159
  • 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 K289-0159 available by request