K284-4023 Screening compound: 4-{[6-bromo-4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}-N~1~-[2-(1-cyclohexenyl)ethyl]benzamide

K284-4023 Screening compound: 4-{[6-bromo-4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}-N~1~-[2-(1-cyclohexenyl)ethyl]benzamide
K284-4023 Screening compound: 4-{[6-bromo-4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}-N~1~-[2-(1-cyclohexenyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4023
4-{[6-bromo-4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}-N~1~-[2-(1-cyclohexenyl)ethyl]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

K284-4023

Molecular Formula

C24H24BrN3O2S (C24 H24 BrN3 O2 S)

Compound Name

4-{[6-bromo-4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}-N~1~-[2-(1-cyclohexenyl)ethyl]benzamide

IUPAC name

4-[(6-bromo-4-oxo-2-sulfanylidene-1234-tetrahydroquinazolin-3-yl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide

SMILES

O=C(c1ccc(CN(C(c(cc(cc2)Br)c2N2)=O)C2=S)cc1)NCCC1=CCCCC1

InChI

InChI=1S/C24H24BrN3O2S/c25-19-10-11-21-20(14-19)23(30)28(24(31)27-21)15-17-6-8-18(9-7-17)22(29)26-13-12-16-4-2-1-3-5-16/h4,6-11,14H,1-3,5,12-13,15H2,(H,26,29)(H,27,31)

InChI Key

WLGSLZWZYZQPNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08541206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.100

Distribution Coefficient, logD

5.078

Water Solubility, LogSw

-5.12

Polar Surface Area

51.765

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.17

K284-4023 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K284-4023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4023?
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What is the minimum amount of K284-4023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4023
  • 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 K284-4023 available by request