K284-4679 Screening compound: 2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-4-one

K284-4679 Screening compound: 2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-4-one
K284-4679 Screening compound: 2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4679
2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-4-one

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

K284-4679

Molecular Formula

C35H35ClN6O3S (C35 H35 ClN6 O3 S)

Compound Name

2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-4-one

IUPAC name

2-[({7-chloro-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-34-dihydroquinazolin-4-one

SMILES

O=C(C1CCC(CN2C(SCC(N=C(C=C3)N4C=C3Cl)=CC4=O)=Nc(cccc3)c3C2=O)CC1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C35H35ClN6O3S/c36-26-14-15-31-37-27(20-32(43)41(31)22-26)23-46-35-38-30-9-5-4-8-29(30)34(45)42(35)21-24-10-12-25(13-11-24)33(44)40-18-16-39(17-19-40)28-6-2-1-3-7-28/h1-9,14-15,20,22,24-25H,10-13,16-19,21,23H2

InChI Key

OAPOYPCEMWSOAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

655.22

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.761

Distribution Coefficient, logD

4.760

Water Solubility, LogSw

-4.92

Polar Surface Area

72.377

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.30

K284-4679 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 K284-4679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4679?
Check Price and Availability of K284-4679, 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 K284-4679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4679
  • 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 K284-4679 available by request