D037-0145 Screening compound: 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-chlorobenzoate

D037-0145 Screening compound: 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-chlorobenzoate
D037-0145 Screening compound: 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0145
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-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

D037-0145

Molecular Formula

C21H13ClO5S (C21 H13 ClO5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c(cc(cc1S2)OC(c(cccc3)c3Cl)=O)c1OC2=O

InChI

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

InChI Key

QZJDHXVYHOPIKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01918016

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

5.642

Distribution Coefficient, logD

5.642

Water Solubility, LogSw

-5.85

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

D037-0145 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D037-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0145?
Check Price and Availability of D037-0145, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D037-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0145
  • 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 D037-0145 available by request