K284-4666 Screening compound: 4-{[2-({[(butan-2-yl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide

K284-4666 Screening compound: 4-{[2-({[(butan-2-yl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
K284-4666 Screening compound: 4-{[2-({[(butan-2-yl)carbamoyl]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 K284-4666
4-{[2-({[(butan-2-yl)carbamoyl]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

K284-4666

Molecular Formula

C30H38N4O3S (C30 H38 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C30H38N4O3S/c1-3-21(2)32-27(35)20-38-30-33-26-12-8-7-11-25(26)29(37)34(30)19-23-13-15-24(16-14-23)28(36)31-18-17-22-9-5-4-6-10-22/h4-12,21,23-24H,3,13-20H2,1-2H3,(H,31,36)(H,32,35)/t21-,23?,24?/m0/s1

InChI Key

RXQNPXLTQIFRGX-KHRZNOOSSA-N

MDL Number (MFCD)

MFCD15088418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.241

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-4.28

Polar Surface Area

74.402

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

K284-4666 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K284-4666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4666?
Check Price and Availability of K284-4666, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K284-4666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4666
  • 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 K284-4666 available by request