K284-3412 Screening compound: N-[(2-chlorophenyl)methyl]-4-[(2-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]cyclohexane-1-carboxamide

K284-3412 Screening compound: N-[(2-chlorophenyl)methyl]-4-[(2-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]cyclohexane-1-carboxamide
K284-3412 Screening compound: N-[(2-chlorophenyl)methyl]-4-[(2-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-3412
N-[(2-chlorophenyl)methyl]-4-[(2-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-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

K284-3412

Molecular Formula

C30H35ClN4O3S (C30 H35 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N1CC(CC2)CCC2C(NCc(cccc2)c2Cl)=O)=Nc(cccc2)c2C1=O)NC1CCCC1

InChI

InChI=1S/C30H35ClN4O3S/c31-25-11-5-1-7-22(25)17-32-28(37)21-15-13-20(14-16-21)18-35-29(38)24-10-4-6-12-26(24)34-30(35)39-19-27(36)33-23-8-2-3-9-23/h1,4-7,10-12,20-21,23H,2-3,8-9,13-19H2,(H,32,37)(H,33,36)

InChI Key

VVTNYNWOMZSPSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.15

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.143

Distribution Coefficient, logD

5.143

Water Solubility, LogSw

-5.39

Polar Surface Area

74.939

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

K284-3412 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K284-3412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-3412?
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What is the minimum amount of K284-3412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-3412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-3412
  • 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 K284-3412 available by request