K284-5823 Screening compound: 6-(6-{[(butylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide

K284-5823 Screening compound: 6-(6-{[(butylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
K284-5823 Screening compound: 6-(6-{[(butylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5823
6-(6-{[(butylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide

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

K284-5823

Molecular Formula

C31H40N4O7S (C31 H40 N4 O7 S)

Compound Name

6-(6-{[(butylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide

IUPAC name

6-(6-{[(butylcarbamoyl)methyl]sulfanyl}-8-oxo-2H7H8H-[13]dioxolo[45-g]quinazolin-7-yl)-N-[2-(34-dimethoxyphenyl)ethyl]hexanamide

SMILES

CCCCNC(CSC(N1CCCCCC(NCCc(cc2)cc(OC)c2OC)=O)=Nc(cc2OCOc2c2)c2C1=O)=O

InChI

InChI=1S/C31H40N4O7S/c1-4-5-13-32-29(37)19-43-31-34-23-18-27-26(41-20-42-27)17-22(23)30(38)35(31)15-8-6-7-9-28(36)33-14-12-21-10-11-24(39-2)25(16-21)40-3/h10-11,16-18H,4-9,12-15,19-20H2,1-3H3,(H,32,37)(H,33,36)

InChI Key

WWIYKVCYLSFEIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15089026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

612.75

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.259

Distribution Coefficient, logD

3.259

Water Solubility, LogSw

-3.52

Polar Surface Area

107.023

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.40

K284-5823 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K284-5823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5823?
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What is the minimum amount of K284-5823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5823
  • 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 K284-5823 available by request