K242-0117 Screening compound: 2-{[4-(4-bromophenyl)-1-(2-fluorophenyl)-1H-imidazol-2-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one

K242-0117 Screening compound: 2-{[4-(4-bromophenyl)-1-(2-fluorophenyl)-1H-imidazol-2-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one
K242-0117 Screening compound: 2-{[4-(4-bromophenyl)-1-(2-fluorophenyl)-1H-imidazol-2-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K242-0117
2-{[4-(4-bromophenyl)-1-(2-fluorophenyl)-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

K242-0117

Molecular Formula

C21H14BrFN2OS2 (C21 H14 BrFN2 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc(-c(cc2)ccc2Br)cn1-c(cccc1)c1F)c1cccs1

InChI

InChI=1S/C21H14BrFN2OS2/c22-15-9-7-14(8-10-15)17-12-25(18-5-2-1-4-16(18)23)21(24-17)28-13-19(26)20-6-3-11-27-20/h1-12H,13H2

InChI Key

QCLWQMGNQRRMAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.39

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

6.627

Distribution Coefficient, logD

6.627

Water Solubility, LogSw

-6.00

Polar Surface Area

25.671

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

K242-0117 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 K242-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K242-0117?
Check Price and Availability of K242-0117, 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 K242-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K242-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K242-0117
  • 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 K242-0117 available by request