D037-0226 Screening compound: 7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-methoxyphenoxy)acetate

D037-0226 Screening compound: 7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-methoxyphenoxy)acetate
D037-0226 Screening compound: 7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-methoxyphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0226
7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-methoxyphenoxy)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

D037-0226

Molecular Formula

C24H20O7S (C24 H20 O7 S)

Compound Name

7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-methoxyphenoxy)acetate

IUPAC name

7-(4-ethoxyphenyl)-2-oxo-2H-13-benzoxathiol-5-yl 2-(4-methoxyphenoxy)acetate

SMILES

CCOc(cc1)ccc1-c1cc(OC(COc(cc2)ccc2OC)=O)cc(S2)c1OC2=O

InChI

InChI=1S/C24H20O7S/c1-3-28-17-6-4-15(5-7-17)20-12-19(13-21-23(20)31-24(26)32-21)30-22(25)14-29-18-10-8-16(27-2)9-11-18/h4-13H,3,14H2,1-2H3

InChI Key

PINPLNYAOMKRTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07425535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.982

Distribution Coefficient, logD

4.982

Water Solubility, LogSw

-4.70

Polar Surface Area

63.673

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D037-0226 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 D037-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0226?
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What is the minimum amount of D037-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0226
  • 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 D037-0226 available by request