D037-0745 Screening compound: 7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methylbenzoate

D037-0745 Screening compound: 7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methylbenzoate
D037-0745 Screening compound: 7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0745
7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methylbenzoate

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

D037-0745

Molecular Formula

C22H16O5S (C22 H16 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(Oc(cc1-c2cc(OC)ccc2)cc(S2)c1OC2=O)=O

InChI

InChI=1S/C22H16O5S/c1-13-6-8-14(9-7-13)21(23)26-17-11-18(15-4-3-5-16(10-15)25-2)20-19(12-17)28-22(24)27-20/h3-12H,1-2H3

InChI Key

HWIXMXYTHOLOAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.43

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

5.349

Distribution Coefficient, logD

5.349

Water Solubility, LogSw

-5.49

Polar Surface Area

49.645

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with D037-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0745?
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What is the minimum amount of D037-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0745
  • 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 D037-0745 available by request