K284-4744 Screening compound: 4-{[2-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide

K284-4744 Screening compound: 4-{[2-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
K284-4744 Screening compound: 4-{[2-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4744
4-{[2-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide

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

K284-4744

Molecular Formula

C31H38N4O4S (C31 H38 N4 O4 S)

Compound Name

4-{[2-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide

IUPAC name

4-{[2-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-34-dihydroquinazolin-3-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide

SMILES

CCc(cc1)ccc1NC(CSC(N1CC(CC2)CCC2C(NCC2OCCC2)=O)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C31H38N4O4S/c1-2-21-11-15-24(16-12-21)33-28(36)20-40-31-34-27-8-4-3-7-26(27)30(38)35(31)19-22-9-13-23(14-10-22)29(37)32-18-25-6-5-17-39-25/h3-4,7-8,11-12,15-16,22-23,25H,2,5-6,9-10,13-14,17-20H2,1H3,(H,32,37)(H,33,36)/t22?,23?,25-/m1/s1

InChI Key

PTEDWPWIZUVGCE-OOEPIQFGSA-N

MDL Number (MFCD)

MFCD15088474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.73

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.727

Distribution Coefficient, logD

4.727

Water Solubility, LogSw

-4.46

Polar Surface Area

82.180

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.40

K284-4744 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K284-4744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4744?
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What is the minimum amount of K284-4744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4744
  • 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 K284-4744 available by request