D037-0149 Screening compound: 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-fluorobenzoate

D037-0149 Screening compound: 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-fluorobenzoate
D037-0149 Screening compound: 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0149
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-fluorobenzoate

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

D037-0149

Molecular Formula

C21H13FO5S (C21 H13 FO5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1cc(OC(c(cc2)ccc2F)=O)cc(S2)c1OC2=O

InChI

InChI=1S/C21H13FO5S/c1-25-15-8-4-12(5-9-15)17-10-16(11-18-19(17)27-21(24)28-18)26-20(23)13-2-6-14(22)7-3-13/h2-11H,1H3

InChI Key

UOFSOQUIMNPRLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

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

4.937

Distribution Coefficient, logD

4.937

Water Solubility, LogSw

-4.77

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

D037-0149 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D037-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0149?
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What is the minimum amount of D037-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0149
  • 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 D037-0149 available by request