K284-4490 Screening compound: 4-{[4-oxo-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide

K284-4490 Screening compound: 4-{[4-oxo-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
K284-4490 Screening compound: 4-{[4-oxo-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4490
4-{[4-oxo-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-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

K284-4490

Molecular Formula

C34H38N4O3S (C34 H38 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N1CC(CC2)CCC2C(NCCc2ccccc2)=O)=Nc(cccc2)c2C1=O)NCCc1ccccc1

InChI

InChI=1S/C34H38N4O3S/c39-31(35-21-19-25-9-3-1-4-10-25)24-42-34-37-30-14-8-7-13-29(30)33(41)38(34)23-27-15-17-28(18-16-27)32(40)36-22-20-26-11-5-2-6-12-26/h1-14,27-28H,15-24H2,(H,35,39)(H,36,40)

InChI Key

PLZQJSOYAQIBQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088292

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

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.550

Distribution Coefficient, logD

4.550

Water Solubility, LogSw

-4.59

Polar Surface Area

74.531

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

K284-4490 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anti-infective Library (19449 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)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K284-4490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4490?
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What is the minimum amount of K284-4490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4490
  • 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 K284-4490 available by request