D037-0020 Screening compound: 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 2-(2-methoxyphenoxy)acetate

D037-0020 Screening compound: 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 2-(2-methoxyphenoxy)acetate
D037-0020 Screening compound: 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 2-(2-methoxyphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0020
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 2-(2-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

D037-0020

Molecular Formula

C22H16O6S (C22 H16 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1OCC(Oc(cc1-c2ccccc2)cc(S2)c1OC2=O)=O

InChI

InChI=1S/C22H16O6S/c1-25-17-9-5-6-10-18(17)26-13-20(23)27-15-11-16(14-7-3-2-4-8-14)21-19(12-15)29-22(24)28-21/h2-12H,13H2,1H3

InChI Key

FVOLTOGDNZRCIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.43

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

4.273

Distribution Coefficient, logD

4.273

Water Solubility, LogSw

-4.51

Polar Surface Area

56.722

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D037-0020 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 D037-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0020?
Check Price and Availability of D037-0020, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D037-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0020
  • 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 D037-0020 available by request