2729-0496 Screening compound: 2-(4-bromophenyl)-5-(thiophen-2-yl)-4H-thieno[2,3-d][1,3]oxazin-4-one

2729-0496 Screening compound: 2-(4-bromophenyl)-5-(thiophen-2-yl)-4H-thieno[2,3-d][1,3]oxazin-4-one
2729-0496 Screening compound: 2-(4-bromophenyl)-5-(thiophen-2-yl)-4H-thieno[2,3-d][1,3]oxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0496
2-(4-bromophenyl)-5-(thiophen-2-yl)-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

2729-0496

Molecular Formula

C16H8BrNO2S2 (C16 H8 BrNO2 S2)

Compound Name

2-(4-bromophenyl)-5-(thiophen-2-yl)-4H-thieno[2,3-d][1,3]oxazin-4-one

IUPAC name

2-(4-bromophenyl)-5-(thiophen-2-yl)-4H-thieno[23-d][13]oxazin-4-one

SMILES

O=C1OC(c(cc2)ccc2Br)=Nc2c1c(-c1cccs1)cs2

InChI

InChI=1S/C16H8BrNO2S2/c17-10-5-3-9(4-6-10)14-18-15-13(16(19)20-14)11(8-22-15)12-2-1-7-21-12/h1-8H

InChI Key

ZJKKNEVZEPOPBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01238940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.859

Distribution Coefficient, logD

4.859

Water Solubility, LogSw

-5.03

Polar Surface Area

30.835

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2729-0496 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 2729-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0496?
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What is the minimum amount of 2729-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0496
  • 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 2729-0496 available by request