D037-0088 Screening compound: 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(2-methoxyphenoxy)acetate

D037-0088 Screening compound: 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(2-methoxyphenoxy)acetate
D037-0088 Screening compound: 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(2-methoxyphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0088
7-(4-methylphenyl)-2-oxo-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

D037-0088

Molecular Formula

C23H18O6S (C23 H18 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1cc(OC(COc(cccc2)c2OC)=O)cc(S2)c1OC2=O

InChI

InChI=1S/C23H18O6S/c1-14-7-9-15(10-8-14)17-11-16(12-20-22(17)29-23(25)30-20)28-21(24)13-27-19-6-4-3-5-18(19)26-2/h3-12H,13H2,1-2H3

InChI Key

SLRHYOMGDXITEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

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

4.801

Distribution Coefficient, logD

4.801

Water Solubility, LogSw

-4.70

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

13.00

D037-0088 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 D037-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0088?
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What is the minimum amount of D037-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0088
  • 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 D037-0088 available by request