C566-0061 Screening compound: 3-(4-bromobenzenesulfonyl)-7-methoxy-2H-chromen-2-one

C566-0061 Screening compound: 3-(4-bromobenzenesulfonyl)-7-methoxy-2H-chromen-2-one
C566-0061 Screening compound: 3-(4-bromobenzenesulfonyl)-7-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C566-0061
3-(4-bromobenzenesulfonyl)-7-methoxy-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

C566-0061

Molecular Formula

C16H11BrO5S (C16 H11 BrO5 S)

Compound Name

3-(4-bromobenzenesulfonyl)-7-methoxy-2H-chromen-2-one

IUPAC name

3-(4-bromobenzenesulfonyl)-7-methoxy-2H-chromen-2-one

SMILES

COc(cc1)cc(OC2=O)c1C=C2S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C16H11BrO5S/c1-21-12-5-2-10-8-15(16(18)22-14(10)9-12)23(19,20)13-6-3-11(17)4-7-13/h2-9H,1H3

InChI Key

PPAHTMVJDZFXSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-4.21

Polar Surface Area

58.205

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with C566-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C566-0061?
Check Price and Availability of C566-0061, 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 C566-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C566-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C566-0061
  • 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 C566-0061 available by request