K242-0455 Screening compound: 2-{[4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

K242-0455 Screening compound: 2-{[4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
K242-0455 Screening compound: 2-{[4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K242-0455
2-{[4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-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

K242-0455

Molecular Formula

C29H29N3O3S (C29 H29 N3 O3 S)

Compound Name

2-{[4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-{[4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl}-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

CCOc(cc1)ccc1-c(nc1SCC(N(CCC2)c3c2cccc3)=O)cn1-c(cc1)ccc1OC

InChI

InChI=1S/C29H29N3O3S/c1-3-35-25-14-10-21(11-15-25)26-19-32(23-12-16-24(34-2)17-13-23)29(30-26)36-20-28(33)31-18-6-8-22-7-4-5-9-27(22)31/h4-5,7,9-17,19H,3,6,8,18,20H2,1-2H3

InChI Key

BHFFCZJKFPVRDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.495

Distribution Coefficient, logD

6.495

Water Solubility, LogSw

-5.53

Polar Surface Area

41.431

Acid Dissociation Constant (pKa)

18.88

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

K242-0455 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K242-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K242-0455?
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What is the minimum amount of K242-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K242-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K242-0455
  • 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 K242-0455 available by request