K279-1546 Screening compound: 2-{5-[(2-CHLOROBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-PHENETHYLACETAMIDE

K279-1546 Screening compound: 2-{5-[(2-CHLOROBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-PHENETHYLACETAMIDE
K279-1546 Screening compound: 2-{5-[(2-CHLOROBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-PHENETHYLACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-1546
2-{5-[(2-CHLOROBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-PHENETHYLACETAMIDE

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

K279-1546

Molecular Formula

C27H23ClN4O2S (C27 H23 ClN4 O2 S)

Compound Name

2-{5-[(2-CHLOROBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-PHENETHYLACETAMIDE

IUPAC name

n/a

SMILES

O=C(CC1N2C(SCc(cccc3)c3Cl)=Nc(cccc3)c3C2=NC1=O)NCCc1ccccc1

InChI

InChI=1S/C27H23ClN4O2S/c28-21-12-6-4-10-19(21)17-35-27-30-22-13-7-5-11-20(22)25-31-26(34)23(32(25)27)16-24(33)29-15-14-18-8-2-1-3-9-18/h1-13,23H,14-17H2,(H,29,33)/t23-/m0/s1

InChI Key

AZALJHGUXMHORQ-QHCPKHFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.767

Distribution Coefficient, logD

3.765

Water Solubility, LogSw

-4.26

Polar Surface Area

59.465

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

K279-1546 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K279-1546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-1546?
Check Price and Availability of K279-1546, 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 K279-1546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-1546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-1546
  • 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 K279-1546 available by request