0233-0057 Screening compound: 1-[(difluoromethyl)sulfanyl]-4-nitrobenzene

0233-0057 Screening compound: 1-[(difluoromethyl)sulfanyl]-4-nitrobenzene
0233-0057 Screening compound: 1-[(difluoromethyl)sulfanyl]-4-nitrobenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0233-0057
1-[(difluoromethyl)sulfanyl]-4-nitrobenzene

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

0233-0057

Molecular Formula

C7H5F2NO2S (C7 H5 F2 NO2 S)

Compound Name

1-[(difluoromethyl)sulfanyl]-4-nitrobenzene

IUPAC name

1-[(difluoromethyl)sulfanyl]-4-nitrobenzene

SMILES

[O-][N+](c(cc1)ccc1SC(F)F)=O

InChI

InChI=1S/C7H5F2NO2S/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H

InChI Key

OPMAJTTXWQKVIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

205.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.982

Distribution Coefficient, logD

2.982

Water Solubility, LogSw

-3.37

Polar Surface Area

33.620

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

0233-0057 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0233-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0233-0057?
Check Price and Availability of 0233-0057, 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 0233-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0233-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0233-0057
  • 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 0233-0057 available by request