K279-0524 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetamide

K279-0524 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetamide
K279-0524 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-0524
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}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

K279-0524

Molecular Formula

C24H25ClN6O2S (C24 H25 ClN6 O2 S)

Compound Name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetamide

IUPAC name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{3-oxo-5-sulfanylidene-2H3H5H6H-imidazo[12-c]quinazolin-2-yl}acetamide

SMILES

O=C(CC(C1=O)N=C(c(cccc2)c2N2)N1C2=S)NCCN(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C24H25ClN6O2S/c25-16-4-3-5-17(14-16)30-12-10-29(11-13-30)9-8-26-21(32)15-20-23(33)31-22(27-20)18-6-1-2-7-19(18)28-24(31)34/h1-7,14,20H,8-13,15H2,(H,26,32)(H,28,34)/t20-/m0/s1

InChI Key

GRJFYRVNIHVTAT-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.035

Distribution Coefficient, logD

1.628

Water Solubility, LogSw

-3.27

Polar Surface Area

68.801

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

K279-0524 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K279-0524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0524?
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What is the minimum amount of K279-0524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0524
  • 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 K279-0524 available by request