D037-0182 Screening compound: 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-chloro-3-methylphenoxy)acetate

D037-0182 Screening compound: 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-chloro-3-methylphenoxy)acetate
D037-0182 Screening compound: 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-chloro-3-methylphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0182
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-chloro-3-methylphenoxy)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

D037-0182

Molecular Formula

C23H17ClO6S (C23 H17 ClO6 S)

Compound Name

7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-chloro-3-methylphenoxy)acetate

IUPAC name

7-(4-methoxyphenyl)-2-oxo-2H-13-benzoxathiol-5-yl 2-(4-chloro-3-methylphenoxy)acetate

SMILES

Cc(cc(cc1)OCC(Oc(cc2S3)cc(-c(cc4)ccc4OC)c2OC3=O)=O)c1Cl

InChI

InChI=1S/C23H17ClO6S/c1-13-9-16(7-8-19(13)24)28-12-21(25)29-17-10-18(14-3-5-15(27-2)6-4-14)22-20(11-17)31-23(26)30-22/h3-11H,12H2,1-2H3

InChI Key

INIDUGKUXHZIJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.9

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

5.892

Distribution Coefficient, logD

5.892

Water Solubility, LogSw

-5.95

Polar Surface Area

56.549

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D037-0182 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D037-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0182?
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What is the minimum amount of D037-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0182
  • 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 D037-0182 available by request