5279-0004 Screening compound: 6-bromo-3-[2-(4-methylphenyl)-1,3-thiazolidine-3-carbonyl]-2H-chromen-2-one

5279-0004 Screening compound: 6-bromo-3-[2-(4-methylphenyl)-1,3-thiazolidine-3-carbonyl]-2H-chromen-2-one
5279-0004 Screening compound: 6-bromo-3-[2-(4-methylphenyl)-1,3-thiazolidine-3-carbonyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5279-0004
6-bromo-3-[2-(4-methylphenyl)-1,3-thiazolidine-3-carbonyl]-2H-chromen-2-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

5279-0004

Molecular Formula

C20H16BrNO3S (C20 H16 BrNO3 S)

Compound Name

6-bromo-3-[2-(4-methylphenyl)-1,3-thiazolidine-3-carbonyl]-2H-chromen-2-one

IUPAC name

6-bromo-3-[2-(4-methylphenyl)-13-thiazolidine-3-carbonyl]-2H-chromen-2-one

SMILES

Cc1ccc(C2SCCN2C(C2=Cc(cc(cc3)Br)c3OC2=O)=O)cc1

InChI

InChI=1S/C20H16BrNO3S/c1-12-2-4-13(5-3-12)19-22(8-9-26-19)18(23)16-11-14-10-15(21)6-7-17(14)25-20(16)24/h2-7,10-11,19H,8-9H2,1H3/t19-/m0/s1

InChI Key

AHLOYDTWZUVSAV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03618288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.355

Distribution Coefficient, logD

4.355

Water Solubility, LogSw

-4.40

Polar Surface Area

37.598

Acid Dissociation Constant (pKa)

26.70

Base Dissociation Constant (pKb)

-10.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

5279-0004 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5279-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5279-0004?
Check Price and Availability of 5279-0004, 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 5279-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5279-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5279-0004
  • 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 5279-0004 available by request