8018-9439 Screening compound: 2-[(4-fluorobenzyl)sulfonyl]benzoic acid

8018-9439 Screening compound: 2-[(4-fluorobenzyl)sulfonyl]benzoic acid
8018-9439 Screening compound: 2-[(4-fluorobenzyl)sulfonyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9439
2-[(4-fluorobenzyl)sulfonyl]benzoic acid

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

8018-9439

Molecular Formula

C14H11FO4S (C14 H11 FO4 S)

Compound Name

2-[(4-fluorobenzyl)sulfonyl]benzoic acid

IUPAC name

2-[(4-fluorophenyl)methanesulfonyl]benzoic acid

SMILES

OC(c(cccc1)c1S(Cc(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C14H11FO4S/c15-11-7-5-10(6-8-11)9-20(18,19)13-4-2-1-3-12(13)14(16)17/h1-8H,9H2,(H,16,17)

InChI Key

KGDBZXDJAFNEFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01418361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.324

Distribution Coefficient, logD

-2.219

Water Solubility, LogSw

-2.38

Polar Surface Area

57.411

Acid Dissociation Constant (pKa)

2.86

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8018-9439 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 8018-9439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9439?
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What is the minimum amount of 8018-9439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9439
  • 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 8018-9439 available by request