K284-4746 Screening compound: 4-{[2-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide

K284-4746 Screening compound: 4-{[2-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
K284-4746 Screening compound: 4-{[2-({[(3-chloro-4-methylphenyl)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 K284-4746
4-{[2-({[(3-chloro-4-methylphenyl)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

K284-4746

Molecular Formula

C30H35ClN4O4S (C30 H35 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(CSC(N1CC(CC2)CCC2C(NCC2OCCC2)=O)=Nc(cccc2)c2C1=O)=O)c1)c1Cl

InChI

InChI=1S/C30H35ClN4O4S/c1-19-8-13-22(15-25(19)31)33-27(36)18-40-30-34-26-7-3-2-6-24(26)29(38)35(30)17-20-9-11-21(12-10-20)28(37)32-16-23-5-4-14-39-23/h2-3,6-8,13,15,20-21,23H,4-5,9-12,14,16-18H2,1H3,(H,32,37)(H,33,36)/t20?,21?,23-/m1/s1

InChI Key

JSFNCCJCLPYPQT-YDPRHXJPSA-N

MDL Number (MFCD)

MFCD15088476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.15

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.187

Distribution Coefficient, logD

5.186

Water Solubility, LogSw

-5.39

Polar Surface Area

82.180

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

K284-4746 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 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

References: we are preparing a list of scientific research reports with K284-4746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4746?
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What is the minimum amount of K284-4746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4746
  • 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 K284-4746 available by request