D037-0016 Screening compound: 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 2-phenoxyacetate

D037-0016 Screening compound: 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 2-phenoxyacetate
D037-0016 Screening compound: 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 2-phenoxyacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0016
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 2-phenoxyacetate

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

D037-0016

Molecular Formula

C21H14O5S (C21 H14 O5 S)

Compound Name

2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 2-phenoxyacetate

IUPAC name

2-oxo-7-phenyl-2H-13-benzoxathiol-5-yl 2-phenoxyacetate

SMILES

O=C(COc1ccccc1)Oc(cc1-c2ccccc2)cc(S2)c1OC2=O

InChI

InChI=1S/C21H14O5S/c22-19(13-24-15-9-5-2-6-10-15)25-16-11-17(14-7-3-1-4-8-14)20-18(12-16)27-21(23)26-20/h1-12H,13H2

InChI Key

CHPPUCFNHGPTEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.497

Distribution Coefficient, logD

4.497

Water Solubility, LogSw

-4.54

Polar Surface Area

49.005

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D037-0016 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D037-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0016?
Check Price and Availability of D037-0016, 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 D037-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0016
  • 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 D037-0016 available by request