K279-0542 Screening compound: N~1~-BUTYL-3-(5-{[2-(CYCLOHEXYLAMINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

K279-0542 Screening compound: N~1~-BUTYL-3-(5-{[2-(CYCLOHEXYLAMINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE
K279-0542 Screening compound: N~1~-BUTYL-3-(5-{[2-(CYCLOHEXYLAMINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-0542
N~1~-BUTYL-3-(5-{[2-(CYCLOHEXYLAMINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

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

K279-0542

Molecular Formula

C25H33N5O3S (C25 H33 N5 O3 S)

Compound Name

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

IUPAC name

n/a

SMILES

CCCCNC(CCC1N2C(SCC(NC3CCCCC3)=O)=Nc(cccc3)c3C2=NC1=O)=O

InChI

InChI=1S/C25H33N5O3S/c1-2-3-15-26-21(31)14-13-20-24(33)29-23-18-11-7-8-12-19(18)28-25(30(20)23)34-16-22(32)27-17-9-5-4-6-10-17/h7-8,11-12,17,20H,2-6,9-10,13-16H2,1H3,(H,26,31)(H,27,32)/t20-/m0/s1

InChI Key

QBAQKRFWBIZFGS-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.618

Distribution Coefficient, logD

2.617

Water Solubility, LogSw

-3.34

Polar Surface Area

83.933

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

K279-0542 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with K279-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0542?
Check Price and Availability of K279-0542, 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 K279-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0542
  • 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 K279-0542 available by request