4340-2133 Screening compound: 4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-bromophenoxy)acetate

4340-2133 Screening compound: 4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-bromophenoxy)acetate
4340-2133 Screening compound: 4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-bromophenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-2133
4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-bromophenoxy)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

4340-2133

Molecular Formula

C22H15BrO6S (C22 H15 BrO6 S)

Compound Name

4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-bromophenoxy)acetate

IUPAC name

4-(4-methoxyphenyl)-2-oxo-2H-13-benzoxathiol-5-yl 2-(4-bromophenoxy)acetate

SMILES

COc(cc1)ccc1-c(c(S1)c(cc2)OC1=O)c2OC(COc(cc1)ccc1Br)=O

InChI

InChI=1S/C22H15BrO6S/c1-26-15-6-2-13(3-7-15)20-17(10-11-18-21(20)30-22(25)29-18)28-19(24)12-27-16-8-4-14(23)5-9-16/h2-11H,12H2,1H3

InChI Key

ZWXGYYYYBDYDBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02997320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.994

Distribution Coefficient, logD

4.994

Water Solubility, LogSw

-4.91

Polar Surface Area

56.951

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4340-2133 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4340-2133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-2133?
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What is the minimum amount of 4340-2133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-2133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-2133
  • 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 4340-2133 available by request