F342-0053 Screening compound: 1-methyl-5-phenyl-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-imidazole

F342-0053 Screening compound: 1-methyl-5-phenyl-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-imidazole
F342-0053 Screening compound: 1-methyl-5-phenyl-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F342-0053
1-methyl-5-phenyl-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-imidazole

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

F342-0053

Molecular Formula

C18H15F3N2S (C18 H15 F3 N2 S)

Compound Name

1-methyl-5-phenyl-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-imidazole

IUPAC name

1-methyl-5-phenyl-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-imidazole

SMILES

Cn1c(SCc2ccc(C(F)(F)F)cc2)ncc1-c1ccccc1

InChI

InChI=1S/C18H15F3N2S/c1-23-16(14-5-3-2-4-6-14)11-22-17(23)24-12-13-7-9-15(10-8-13)18(19,20)21/h2-11H,12H2,1H3

InChI Key

QXRAJRZOZKLTBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.065

Distribution Coefficient, logD

4.859

Water Solubility, LogSw

-4.61

Polar Surface Area

11.573

Acid Dissociation Constant (pKa)

24.51

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F342-0053 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F342-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F342-0053?
Check Price and Availability of F342-0053, 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 F342-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F342-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F342-0053
  • 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 F342-0053 available by request