4085-0025 Screening compound: 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one

4085-0025 Screening compound: 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one
4085-0025 Screening compound: 1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4085-0025
1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]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

4085-0025

Molecular Formula

C12H11BrN2OS (C12 H11 BrN2 OS)

Compound Name

1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one

IUPAC name

1-(4-bromophenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one

SMILES

Cn1c(SCC(c(cc2)ccc2Br)=O)ncc1

InChI

InChI=1S/C12H11BrN2OS/c1-15-7-6-14-12(15)17-8-11(16)9-2-4-10(13)5-3-9/h2-7H,8H2,1H3

InChI Key

CPHJFOQNOWEJIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00994344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.728

Distribution Coefficient, logD

2.680

Water Solubility, LogSw

-3.01

Polar Surface Area

26.133

Acid Dissociation Constant (pKa)

17.01

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4085-0025 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Agro:
  • Agro
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 4085-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4085-0025?
Check Price and Availability of 4085-0025, 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 4085-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4085-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4085-0025
  • 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 4085-0025 available by request