8016-1237 Screening compound: 4-({[2-(4-fluorophenyl)acetyl]oxy}methyl)benzyl 2-(4-fluorophenyl)acetate

8016-1237 Screening compound: 4-({[2-(4-fluorophenyl)acetyl]oxy}methyl)benzyl 2-(4-fluorophenyl)acetate
8016-1237 Screening compound: 4-({[2-(4-fluorophenyl)acetyl]oxy}methyl)benzyl 2-(4-fluorophenyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1237
4-({[2-(4-fluorophenyl)acetyl]oxy}methyl)benzyl 2-(4-fluorophenyl)acetate

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

8016-1237

Molecular Formula

C24H20F2O4 (C24 H20 F2 O4)

Compound Name

4-({[2-(4-fluorophenyl)acetyl]oxy}methyl)benzyl 2-(4-fluorophenyl)acetate

IUPAC name

[4-({[2-(4-fluorophenyl)acetyl]oxy}methyl)phenyl]methyl 2-(4-fluorophenyl)acetate

SMILES

O=C(Cc(cc1)ccc1F)OCc1ccc(COC(Cc(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C24H20F2O4/c25-21-9-5-17(6-10-21)13-23(27)29-15-19-1-2-20(4-3-19)16-30-24(28)14-18-7-11-22(26)12-8-18/h1-12H,13-16H2

InChI Key

RTJTYJPQNVFWMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03959614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.897

Distribution Coefficient, logD

4.897

Water Solubility, LogSw

-5.10

Polar Surface Area

40.764

Acid Dissociation Constant (pKa)

16.78

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8016-1237 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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 8016-1237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1237?
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What is the minimum amount of 8016-1237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1237
  • 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 8016-1237 available by request