D037-0189 Screening compound: 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-chlorobenzoate

D037-0189 Screening compound: 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-chlorobenzoate
D037-0189 Screening compound: 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0189
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-chlorobenzoate

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

D037-0189

Molecular Formula

C21H13ClO5S (C21 H13 ClO5 S)

Compound Name

7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-chlorobenzoate

IUPAC name

7-(4-methoxyphenyl)-2-oxo-2H-13-benzoxathiol-5-yl 3-chlorobenzoate

SMILES

COc(cc1)ccc1-c(cc(cc1S2)OC(c3cccc(Cl)c3)=O)c1OC2=O

InChI

InChI=1S/C21H13ClO5S/c1-25-15-7-5-12(6-8-15)17-10-16(11-18-19(17)27-21(24)28-18)26-20(23)13-3-2-4-14(22)9-13/h2-11H,1H3

InChI Key

BQCSLPANCDXUFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.85

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

5.450

Distribution Coefficient, logD

5.450

Water Solubility, LogSw

-5.94

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

References: we are preparing a list of scientific research reports with D037-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0189?
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What is the minimum amount of D037-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0189
  • 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 D037-0189 available by request