K242-0298 Screening compound: 2-{[1-(4-methoxyphenyl)-4-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide

K242-0298 Screening compound: 2-{[1-(4-methoxyphenyl)-4-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
K242-0298 Screening compound: 2-{[1-(4-methoxyphenyl)-4-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K242-0298
2-{[1-(4-methoxyphenyl)-4-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(2-phenylethyl)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

K242-0298

Molecular Formula

C27H27N3O2S (C27 H27 N3 O2 S)

Compound Name

2-{[1-(4-methoxyphenyl)-4-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide

IUPAC name

2-{[1-(4-methoxyphenyl)-4-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide

SMILES

Cc(cc1)ccc1-c(nc1SCC(NCCc2ccccc2)=O)cn1-c(cc1)ccc1OC

InChI

InChI=1S/C27H27N3O2S/c1-20-8-10-22(11-9-20)25-18-30(23-12-14-24(32-2)15-13-23)27(29-25)33-19-26(31)28-17-16-21-6-4-3-5-7-21/h3-15,18H,16-17,19H2,1-2H3,(H,28,31)

InChI Key

GSOBCLOKUMDJEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.571

Distribution Coefficient, logD

5.567

Water Solubility, LogSw

-5.31

Polar Surface Area

43.564

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

K242-0298 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K242-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K242-0298?
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What is the minimum amount of K242-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K242-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K242-0298
  • 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 K242-0298 available by request