D037-0744 Screening compound: 7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate

D037-0744 Screening compound: 7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate
D037-0744 Screening compound: 7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0744
7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate

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

D037-0744

Molecular Formula

C21H14O5S (C21 H14 O5 S)

Compound Name

7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate

IUPAC name

7-(3-methoxyphenyl)-2-oxo-2H-13-benzoxathiol-5-yl benzoate

SMILES

COc1cccc(-c2cc(OC(c3ccccc3)=O)cc(S3)c2OC3=O)c1

InChI

InChI=1S/C21H14O5S/c1-24-15-9-5-8-14(10-15)17-11-16(12-18-19(17)26-21(23)27-18)25-20(22)13-6-3-2-4-7-13/h2-12H,1H3

InChI Key

BRZKCHWPOQAINQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646107

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

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.821

Distribution Coefficient, logD

4.821

Water Solubility, LogSw

-4.78

Polar Surface Area

49.645

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D037-0744 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D037-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0744?
Check Price and Availability of D037-0744, 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 D037-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0744
  • 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 D037-0744 available by request