D037-0378 Screening compound: 7-(3-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate

D037-0378 Screening compound: 7-(3-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate
D037-0378 Screening compound: 7-(3-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0378
7-(3-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate

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

D037-0378

Molecular Formula

C24H20O7S (C24 H20 O7 S)

Compound Name

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

IUPAC name

7-(3-methylphenyl)-2-oxo-2H-13-benzoxathiol-5-yl 345-trimethoxybenzoate

SMILES

Cc1cccc(-c2cc(OC(c(cc3OC)cc(OC)c3OC)=O)cc(S3)c2OC3=O)c1

InChI

InChI=1S/C24H20O7S/c1-13-6-5-7-14(8-13)17-11-16(12-20-21(17)31-24(26)32-20)30-23(25)15-9-18(27-2)22(29-4)19(10-15)28-3/h5-12H,1-4H3

InChI Key

CPBGEBPKUBSBFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.666

Distribution Coefficient, logD

4.666

Water Solubility, LogSw

-4.64

Polar Surface Area

65.079

Acid Dissociation Constant (pKa)

28.92

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D037-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0378?
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What is the minimum amount of D037-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0378
  • 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 D037-0378 available by request