D037-0264 Screening compound: 7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-fluorophenoxy)acetate

D037-0264 Screening compound: 7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-fluorophenoxy)acetate
D037-0264 Screening compound: 7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-fluorophenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0264
7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-fluorophenoxy)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

D037-0264

Molecular Formula

C21H12F2O5S (C21 H12 F2 O5 S)

Compound Name

7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-fluorophenoxy)acetate

IUPAC name

7-(4-fluorophenyl)-2-oxo-2H-13-benzoxathiol-5-yl 2-(4-fluorophenoxy)acetate

SMILES

O=C(COc(cc1)ccc1F)Oc(cc1-c(cc2)ccc2F)cc(S2)c1OC2=O

InChI

InChI=1S/C21H12F2O5S/c22-13-3-1-12(2-4-13)17-9-16(10-18-20(17)28-21(25)29-18)27-19(24)11-26-15-7-5-14(23)6-8-15/h1-10H,11H2

InChI Key

GGEFHCPRGSNPLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.689

Distribution Coefficient, logD

4.689

Water Solubility, LogSw

-4.78

Polar Surface Area

49.005

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D037-0264 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 D037-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0264?
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What is the minimum amount of D037-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0264
  • 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 D037-0264 available by request