8017-9485 Screening compound: (4-methoxyphenyl)(dioxo)phenyl-lambda~6~-sulfane

8017-9485 Screening compound: (4-methoxyphenyl)(dioxo)phenyl-lambda~6~-sulfane
8017-9485 Screening compound: (4-methoxyphenyl)(dioxo)phenyl-lambda~6~-sulfane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9485
(4-methoxyphenyl)(dioxo)phenyl-lambda~6~-sulfane

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

8017-9485

Molecular Formula

C13H12O3S (C13 H12 O3 S)

Compound Name

(4-methoxyphenyl)(dioxo)phenyl-lambda~6~-sulfane

IUPAC name

1-(benzenesulfonyl)-4-methoxybenzene

SMILES

COc(cc1)ccc1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C13H12O3S/c1-16-11-7-9-13(10-8-11)17(14,15)12-5-3-2-4-6-12/h2-10H,1H3

InChI Key

KXUNNMWAIMNUPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00093812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.3

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

2.985

Distribution Coefficient, logD

2.985

Water Solubility, LogSw

-3.20

Polar Surface Area

37.283

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8017-9485 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-9485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9485?
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What is the minimum amount of 8017-9485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9485
  • 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 8017-9485 available by request