K284-4753 Screening compound: 4-({2-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide

K284-4753 Screening compound: 4-({2-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
K284-4753 Screening compound: 4-({2-[({[2-(cyclohex-1-en-1-yl)ethyl]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 K284-4753
4-({2-[({[2-(cyclohex-1-en-1-yl)ethyl]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

K284-4753

Molecular Formula

C31H42N4O4S (C31 H42 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N1CC(CC2)CCC2C(NCC2OCCC2)=O)=Nc(cccc2)c2C1=O)NCCC1=CCCCC1

InChI

InChI=1S/C31H42N4O4S/c36-28(32-17-16-22-7-2-1-3-8-22)21-40-31-34-27-11-5-4-10-26(27)30(38)35(31)20-23-12-14-24(15-13-23)29(37)33-19-25-9-6-18-39-25/h4-5,7,10-11,23-25H,1-3,6,8-9,12-21H2,(H,32,36)(H,33,37)/t23?,24?,25-/m1/s1

InChI Key

AHHZPBRGAUQEIV-DDJHWDJXSA-N

MDL Number (MFCD)

MFCD15088481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.77

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-3.92

Polar Surface Area

83.536

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.30

K284-4753 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 K284-4753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4753?
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What is the minimum amount of K284-4753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4753
  • 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 K284-4753 available by request