K284-4663 Screening compound: 4-{[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide

K284-4663 Screening compound: 4-{[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
K284-4663 Screening compound: 4-{[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4663
4-{[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-phenylethyl)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

K284-4663

Molecular Formula

C34H38N4O3S (C34 H38 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1NC(CSC(N1CC(CC2)CCC2C(NCCc2ccccc2)=O)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C34H38N4O3S/c1-23-12-17-28(20-24(23)2)36-31(39)22-42-34-37-30-11-7-6-10-29(30)33(41)38(34)21-26-13-15-27(16-14-26)32(40)35-19-18-25-8-4-3-5-9-25/h3-12,17,20,26-27H,13-16,18-19,21-22H2,1-2H3,(H,35,40)(H,36,39)

InChI Key

DAAOGFUOBKRUBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.082

Distribution Coefficient, logD

6.082

Water Solubility, LogSw

-5.47

Polar Surface Area

73.367

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

K284-4663 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K284-4663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4663?
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What is the minimum amount of K284-4663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4663
  • 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 K284-4663 available by request