8415-04032 Screening compound: 2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one

8415-04032 Screening compound: 2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
8415-04032 Screening compound: 2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8415-04032
2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)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

8415-04032

Molecular Formula

C22H15BrFN3OS (C22 H15 BrFN3 OS)

Compound Name

2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one

IUPAC name

2-{[5-(2-bromophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one

SMILES

O=C(CSc1nnc(-c(cccc2)c2Br)n1-c1ccccc1)c(cc1)ccc1F

InChI

InChI=1S/C22H15BrFN3OS/c23-19-9-5-4-8-18(19)21-25-26-22(27(21)17-6-2-1-3-7-17)29-14-20(28)15-10-12-16(24)13-11-15/h1-13H,14H2

InChI Key

KDIMROYECXNTJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08706504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.907

Distribution Coefficient, logD

4.907

Water Solubility, LogSw

-4.97

Polar Surface Area

37.959

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

8415-04032 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8415-04032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8415-04032?
Check Price and Availability of 8415-04032, 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 8415-04032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8415-04032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8415-04032
  • 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 8415-04032 available by request