K279-1408 Screening compound: 2-(5-{[2-(CYCLOHEXYLAMINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-METHOXYBENZYL)ACETAMIDE

K279-1408 Screening compound: 2-(5-{[2-(CYCLOHEXYLAMINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-METHOXYBENZYL)ACETAMIDE
K279-1408 Screening compound: 2-(5-{[2-(CYCLOHEXYLAMINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-METHOXYBENZYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-1408
2-(5-{[2-(CYCLOHEXYLAMINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-METHOXYBENZYL)ACETAMIDE

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

K279-1408

Molecular Formula

C28H31N5O4S (C28 H31 N5 O4 S)

Compound Name

2-(5-{[2-(CYCLOHEXYLAMINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-METHOXYBENZYL)ACETAMIDE

IUPAC name

n/a

SMILES

COc1c(CNC(CC2N3C(SCC(NC4CCCCC4)=O)=Nc(cccc4)c4C3=NC2=O)=O)cccc1

InChI

InChI=1S/C28H31N5O4S/c1-37-23-14-8-5-9-18(23)16-29-24(34)15-22-27(36)32-26-20-12-6-7-13-21(20)31-28(33(22)26)38-17-25(35)30-19-10-3-2-4-11-19/h5-9,12-14,19,22H,2-4,10-11,15-17H2,1H3,(H,29,34)(H,30,35)/t22-/m0/s1

InChI Key

JEYICYRFNPNHOJ-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.848

Distribution Coefficient, logD

2.847

Water Solubility, LogSw

-3.63

Polar Surface Area

91.450

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

K279-1408 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 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 K279-1408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-1408?
Check Price and Availability of K279-1408, 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 K279-1408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-1408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-1408
  • 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 K279-1408 available by request