3237-0870 Screening compound: 5-(4-bromophenyl)-2-tert-butyl-4H-thieno[2,3-d][1,3]oxazin-4-one

3237-0870 Screening compound: 5-(4-bromophenyl)-2-tert-butyl-4H-thieno[2,3-d][1,3]oxazin-4-one
3237-0870 Screening compound: 5-(4-bromophenyl)-2-tert-butyl-4H-thieno[2,3-d][1,3]oxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0870
5-(4-bromophenyl)-2-tert-butyl-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

3237-0870

Molecular Formula

C16H14BrNO2S (C16 H14 BrNO2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)C(O1)=Nc(scc2-c(cc3)ccc3Br)c2C1=O

InChI

InChI=1S/C16H14BrNO2S/c1-16(2,3)15-18-13-12(14(19)20-15)11(8-21-13)9-4-6-10(17)7-5-9/h4-8H,1-3H3

InChI Key

FXCNXLCZPIUZGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00841051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.26

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

4.908

Distribution Coefficient, logD

4.908

Water Solubility, LogSw

-4.86

Polar Surface Area

30.088

Acid Dissociation Constant (pKa)

30.88

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3237-0870 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3237-0870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0870?
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What is the minimum amount of 3237-0870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0870
  • 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 3237-0870 available by request