K284-4649 Screening compound: 4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide

K284-4649 Screening compound: 4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
K284-4649 Screening compound: 4-[(2-{[(2-methylphenyl)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 K284-4649
4-[(2-{[(2-methylphenyl)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

K284-4649

Molecular Formula

C32H35N3O2S (C32 H35 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSC(N2CC(CC3)CCC3C(NCCc3ccccc3)=O)=Nc(cccc3)c3C2=O)cccc1

InChI

InChI=1S/C32H35N3O2S/c1-23-9-5-6-12-27(23)22-38-32-34-29-14-8-7-13-28(29)31(37)35(32)21-25-15-17-26(18-16-25)30(36)33-20-19-24-10-3-2-4-11-24/h2-14,25-26H,15-22H2,1H3,(H,33,36)

InChI Key

PBKJNGJMGIWFIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.496

Distribution Coefficient, logD

6.496

Water Solubility, LogSw

-5.67

Polar Surface Area

50.218

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.40

K284-4649 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K284-4649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4649?
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What is the minimum amount of K284-4649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4649
  • 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 K284-4649 available by request