D037-0750 Screening compound: 7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methoxybenzoate

D037-0750 Screening compound: 7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methoxybenzoate
D037-0750 Screening compound: 7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0750
7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methoxybenzoate

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

D037-0750

Molecular Formula

C22H16O6S (C22 H16 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(-c2cc(OC(c(cccc3)c3OC)=O)cc(S3)c2OC3=O)c1

InChI

InChI=1S/C22H16O6S/c1-25-14-7-5-6-13(10-14)17-11-15(12-19-20(17)28-22(24)29-19)27-21(23)16-8-3-4-9-18(16)26-2/h3-12H,1-2H3

InChI Key

HJYQUQKKSIEBIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06651309

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

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.986

Distribution Coefficient, logD

4.986

Water Solubility, LogSw

-4.86

Polar Surface Area

57.275

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D037-0750 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D037-0750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0750?
Check Price and Availability of D037-0750, 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 D037-0750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0750
  • 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 D037-0750 available by request