2729-0970 Screening compound: 2-(2-fluorophenyl)-5-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one

2729-0970 Screening compound: 2-(2-fluorophenyl)-5-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
2729-0970 Screening compound: 2-(2-fluorophenyl)-5-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0970
2-(2-fluorophenyl)-5-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one

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

2729-0970

Molecular Formula

C19H12FNO3S (C19 H12 FNO3 S)

Compound Name

2-(2-fluorophenyl)-5-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one

IUPAC name

2-(2-fluorophenyl)-5-(4-methoxyphenyl)-4H-thieno[23-d][13]oxazin-4-one

SMILES

COc(cc1)ccc1-c1csc(N=C(c(cccc2)c2F)O2)c1C2=O

InChI

InChI=1S/C19H12FNO3S/c1-23-12-8-6-11(7-9-12)14-10-25-18-16(14)19(22)24-17(21-18)13-4-2-3-5-15(13)20/h2-10H,1H3

InChI Key

OTOLGUXKDPAKJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01830982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

4.217

Water Solubility, LogSw

-4.58

Polar Surface Area

37.360

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

2729-0970 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2729-0970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0970?
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What is the minimum amount of 2729-0970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0970
  • 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 2729-0970 available by request