K288-0326 Screening compound: 3-[2-(1-cyclohexenyl)ethyl]-7-(morpholinocarbonyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone

K288-0326 Screening compound: 3-[2-(1-cyclohexenyl)ethyl]-7-(morpholinocarbonyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
K288-0326 Screening compound: 3-[2-(1-cyclohexenyl)ethyl]-7-(morpholinocarbonyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0326
3-[2-(1-cyclohexenyl)ethyl]-7-(morpholinocarbonyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone

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

K288-0326

Molecular Formula

C21H25N3O3S (C21 H25 N3 O3 S)

Compound Name

3-[2-(1-cyclohexenyl)ethyl]-7-(morpholinocarbonyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone

IUPAC name

3-[2-(cyclohex-1-en-1-yl)ethyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

O=C(c(cc1)cc(NC(N2CCC3=CCCCC3)=S)c1C2=O)N1CCOCC1

InChI

InChI=1S/C21H25N3O3S/c25-19(23-10-12-27-13-11-23)16-6-7-17-18(14-16)22-21(28)24(20(17)26)9-8-15-4-2-1-3-5-15/h4,6-7,14H,1-3,5,8-13H2,(H,22,28)

InChI Key

MZDBQUOWVYNAQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.603

Distribution Coefficient, logD

2.603

Water Solubility, LogSw

-3.32

Polar Surface Area

52.045

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

K288-0326 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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 K288-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0326?
Check Price and Availability of K288-0326, 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 K288-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0326
  • 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 K288-0326 available by request