C566-0259 Screening compound: 3-(4-bromobenzenesulfonyl)-6-hexyl-7-hydroxy-2H-chromen-2-one

C566-0259 Screening compound: 3-(4-bromobenzenesulfonyl)-6-hexyl-7-hydroxy-2H-chromen-2-one
C566-0259 Screening compound: 3-(4-bromobenzenesulfonyl)-6-hexyl-7-hydroxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C566-0259
3-(4-bromobenzenesulfonyl)-6-hexyl-7-hydroxy-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

C566-0259

Molecular Formula

C21H21BrO5S (C21 H21 BrO5 S)

Compound Name

3-(4-bromobenzenesulfonyl)-6-hexyl-7-hydroxy-2H-chromen-2-one

IUPAC name

3-(4-bromobenzenesulfonyl)-6-hexyl-7-hydroxy-2H-chromen-2-one

SMILES

CCCCCCc(c(O)c1)cc(C=C2S(c(cc3)ccc3Br)(=O)=O)c1OC2=O

InChI

InChI=1S/C21H21BrO5S/c1-2-3-4-5-6-14-11-15-12-20(21(24)27-19(15)13-18(14)23)28(25,26)17-9-7-16(22)8-10-17/h7-13,23H,2-6H2,1H3

InChI Key

VRZOSYKBGFJYFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.914

Distribution Coefficient, logD

5.900

Water Solubility, LogSw

-5.13

Polar Surface Area

67.209

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C566-0259 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C566-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C566-0259?
Check Price and Availability of C566-0259, 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 C566-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C566-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C566-0259
  • 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 C566-0259 available by request