K242-0035 Screening compound: 2-{[1-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one

K242-0035 Screening compound: 2-{[1-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one
K242-0035 Screening compound: 2-{[1-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K242-0035
2-{[1-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl}-1-(thiophen-2-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

K242-0035

Molecular Formula

C21H15BrN2OS2 (C21 H15 BrN2 OS2)

Compound Name

2-{[1-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one

IUPAC name

2-{[1-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one

SMILES

O=C(CSc1nc(-c2ccccc2)cn1-c(cc1)ccc1Br)c1cccs1

InChI

InChI=1S/C21H15BrN2OS2/c22-16-8-10-17(11-9-16)24-13-18(15-5-2-1-3-6-15)23-21(24)27-14-19(25)20-7-4-12-26-20/h1-13H,14H2

InChI Key

SVUNSIXMBNAKIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.568

Distribution Coefficient, logD

6.568

Water Solubility, LogSw

-5.93

Polar Surface Area

25.972

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

K242-0035 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K242-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K242-0035?
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What is the minimum amount of K242-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K242-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K242-0035
  • 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 K242-0035 available by request