8014-3998 Screening compound: 4-(4-bromophenoxy)-1-benzenesulfonate

8014-3998 Screening compound: 4-(4-bromophenoxy)-1-benzenesulfonate
8014-3998 Screening compound: 4-(4-bromophenoxy)-1-benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-3998
4-(4-bromophenoxy)-1-benzenesulfonate

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

8014-3998

Molecular Formula

C12H8BrO4S (C12 H8 BrO4 S)

Compound Name

4-(4-bromophenoxy)-1-benzenesulfonate

IUPAC name

4-(4-bromophenoxy)benzene-1-sulfonate

SMILES

[O-]S(c(cc1)ccc1Oc(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C12H9BrO4S/c13-9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(14,15)16/h1-8H,(H,14,15,16)/p-1

InChI Key

DEQBSLRJMNLAHO-UHFFFAOYSA-M

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

NH4+

Molecular Weight

328.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.593

Distribution Coefficient, logD

1.593

Water Solubility, LogSw

-2.13

Polar Surface Area

49.400

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8014-3998 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8014-3998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-3998?
Check Price and Availability of 8014-3998, 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 8014-3998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-3998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-3998
  • 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 8014-3998 available by request