K284-0742 Screening compound: ethyl 3-oxo-4-{[4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate

K284-0742 Screening compound: ethyl 3-oxo-4-{[4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
K284-0742 Screening compound: ethyl 3-oxo-4-{[4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-0742
ethyl 3-oxo-4-{[4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate

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

K284-0742

Molecular Formula

C22H22N2O4S (C22 H22 N2 O4 S)

Compound Name

ethyl 3-oxo-4-{[4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate

IUPAC name

ethyl 3-oxo-4-{[4-oxo-3-(2-phenylethyl)-34-dihydroquinazolin-2-yl]sulfanyl}butanoate

SMILES

CCOC(CC(CSC(N1CCc2ccccc2)=Nc(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C22H22N2O4S/c1-2-28-20(26)14-17(25)15-29-22-23-19-11-7-6-10-18(19)21(27)24(22)13-12-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3

InChI Key

XUTQOBDWRPLXGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.063

Distribution Coefficient, logD

3.063

Water Solubility, LogSw

-3.55

Polar Surface Area

58.935

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

K284-0742 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with K284-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-0742?
Check Price and Availability of K284-0742, 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 K284-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-0742
  • 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 K284-0742 available by request