D037-0101 Screening compound: 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-ethoxybenzoate

D037-0101 Screening compound: 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-ethoxybenzoate
D037-0101 Screening compound: 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-ethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0101
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-ethoxybenzoate

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

D037-0101

Molecular Formula

C23H18O5S (C23 H18 O5 S)

Compound Name

7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-ethoxybenzoate

IUPAC name

7-(4-methylphenyl)-2-oxo-2H-13-benzoxathiol-5-yl 4-ethoxybenzoate

SMILES

CCOc(cc1)ccc1C(Oc(cc1-c2ccc(C)cc2)cc(S2)c1OC2=O)=O

InChI

InChI=1S/C23H18O5S/c1-3-26-17-10-8-16(9-11-17)22(24)27-18-12-19(15-6-4-14(2)5-7-15)21-20(13-18)29-23(25)28-21/h4-13H,3H2,1-2H3

InChI Key

MWTMILZXUKTIHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.46

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

5.718

Distribution Coefficient, logD

5.718

Water Solubility, LogSw

-5.50

Polar Surface Area

49.225

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D037-0101 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D037-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0101?
Check Price and Availability of D037-0101, 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 D037-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0101
  • 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 D037-0101 available by request