4052-2494 Screening compound: 4-[5-(4-bromophenyl)furan-2-carbothioyl]morpholine

4052-2494 Screening compound: 4-[5-(4-bromophenyl)furan-2-carbothioyl]morpholine
4052-2494 Screening compound: 4-[5-(4-bromophenyl)furan-2-carbothioyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-2494
4-[5-(4-bromophenyl)furan-2-carbothioyl]morpholine

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

4052-2494

Molecular Formula

C15H14BrNO2S (C15 H14 BrNO2 S)

Compound Name

4-[5-(4-bromophenyl)furan-2-carbothioyl]morpholine

IUPAC name

4-[5-(4-bromophenyl)furan-2-carbothioyl]morpholine

SMILES

S=C(c1ccc(-c(cc2)ccc2Br)o1)N1CCOCC1

InChI

InChI=1S/C15H14BrNO2S/c16-12-3-1-11(2-4-12)13-5-6-14(19-13)15(20)17-7-9-18-10-8-17/h1-6H,7-10H2

InChI Key

KNKOSBLAZUXOAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00697054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.208

Distribution Coefficient, logD

4.208

Water Solubility, LogSw

-4.27

Polar Surface Area

18.495

Acid Dissociation Constant (pKa)

29.02

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

4052-2494 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4052-2494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-2494?
Check Price and Availability of 4052-2494, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4052-2494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-2494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-2494
  • 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 4052-2494 available by request