K284-0123 Screening compound: 3-[2-(1-cyclohexenyl)ethyl]-2-thioxo-2,3-dihydro-4(1H)-quinazolinone

K284-0123 Screening compound: 3-[2-(1-cyclohexenyl)ethyl]-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
K284-0123 Screening compound: 3-[2-(1-cyclohexenyl)ethyl]-2-thioxo-2,3-dihydro-4(1H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-0123
3-[2-(1-cyclohexenyl)ethyl]-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

K284-0123

Molecular Formula

C16H18N2OS (C16 H18 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1N1)N(CCC2=CCCCC2)C1=S

InChI

InChI=1S/C16H18N2OS/c19-15-13-8-4-5-9-14(13)17-16(20)18(15)11-10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11H2,(H,17,20)

InChI Key

JDECVXZEQNKTCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00109922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

3.813

Water Solubility, LogSw

-4.02

Polar Surface Area

27.488

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-8.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

K284-0123 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K284-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-0123?
Check Price and Availability of K284-0123, 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 K284-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-0123
  • 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 K284-0123 available by request