K284-4779 Screening compound: 4-{[2-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide

K284-4779 Screening compound: 4-{[2-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
K284-4779 Screening compound: 4-{[2-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4779
4-{[2-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(furan-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

K284-4779

Molecular Formula

C31H34N4O4S (C31 H34 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(CSC(N1CC(CC2)CCC2C(NCc2ccco2)=O)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C31H34N4O4S/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/h3-8,11-12,15-17,22-23H,2,9-10,13-14,18-20H2,1H3,(H,32,37)(H,33,36)

InChI Key

PBKXJZSZCZYAFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.7

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

5.602

Distribution Coefficient, logD

5.602

Water Solubility, LogSw

-5.42

Polar Surface Area

81.275

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

K284-4779 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

PLpro Library (6343 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
  • 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 K284-4779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4779?
Check Price and Availability of K284-4779, 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 K284-4779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4779
  • 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 K284-4779 available by request