K284-3942 Screening compound: 3-{2-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

K284-3942 Screening compound: 3-{2-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
K284-3942 Screening compound: 3-{2-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-3942
3-{2-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

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

K284-3942

Molecular Formula

C31H38N4O5S (C31 H38 N4 O5 S)

Compound Name

3-{2-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

IUPAC name

3-{2-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-34-dihydroquinazolin-3-yl}-N-[2-(34-dimethoxyphenyl)ethyl]propanamide

SMILES

COc(ccc(CCNC(CCN1C(SCC(NCCC2=CCCCC2)=O)=Nc(cccc2)c2C1=O)=O)c1)c1OC

InChI

InChI=1S/C31H38N4O5S/c1-39-26-13-12-23(20-27(26)40-2)15-18-32-28(36)16-19-35-30(38)24-10-6-7-11-25(24)34-31(35)41-21-29(37)33-17-14-22-8-4-3-5-9-22/h6-8,10-13,20H,3-5,9,14-19,21H2,1-2H3,(H,32,36)(H,33,37)

InChI Key

KUNLAACDHKRDKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.73

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.426

Distribution Coefficient, logD

2.426

Water Solubility, LogSw

-2.94

Polar Surface Area

89.828

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

K284-3942 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K284-3942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-3942?
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What is the minimum amount of K284-3942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-3942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-3942
  • 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 K284-3942 available by request