K284-4596 Screening compound: 4-({2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide

K284-4596 Screening compound: 4-({2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide
K284-4596 Screening compound: 4-({2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4596
4-({2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-[(2-chlorophenyl)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

K284-4596

Molecular Formula

C32H29Cl2N5O3S (C32 H29 Cl2 N5 O3 S)

Compound Name

4-({2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide

IUPAC name

4-({2-[({7-chloro-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-4-oxo-34-dihydroquinazolin-3-yl}methyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide

SMILES

O=C(C1CCC(CN2C(SCC(N=C(C=C3)N4C=C3Cl)=CC4=O)=Nc(cccc3)c3C2=O)CC1)NCc(cccc1)c1Cl

InChI

InChI=1S/C32H29Cl2N5O3S/c33-23-13-14-28-36-24(15-29(40)38(28)18-23)19-43-32-37-27-8-4-2-6-25(27)31(42)39(32)17-20-9-11-21(12-10-20)30(41)35-16-22-5-1-3-7-26(22)34/h1-8,13-15,18,20-21H,9-12,16-17,19H2,(H,35,41)

InChI Key

XGAIBAHPDDNJBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

634.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.994

Distribution Coefficient, logD

4.994

Water Solubility, LogSw

-4.96

Polar Surface Area

76.882

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

K284-4596 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K284-4596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4596?
Check Price and Availability of K284-4596, 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 K284-4596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4596
  • 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 K284-4596 available by request