C566-1055 Screening compound: 6-bromo-3-(4-tert-butylbenzenesulfonyl)-8-methoxy-2H-chromen-2-one

C566-1055 Screening compound: 6-bromo-3-(4-tert-butylbenzenesulfonyl)-8-methoxy-2H-chromen-2-one
C566-1055 Screening compound: 6-bromo-3-(4-tert-butylbenzenesulfonyl)-8-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C566-1055
6-bromo-3-(4-tert-butylbenzenesulfonyl)-8-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

C566-1055

Molecular Formula

C20H19BrO5S (C20 H19 BrO5 S)

Compound Name

6-bromo-3-(4-tert-butylbenzenesulfonyl)-8-methoxy-2H-chromen-2-one

IUPAC name

6-bromo-3-(4-tert-butylbenzenesulfonyl)-8-methoxy-2H-chromen-2-one

SMILES

CC(C)(C)c(cc1)ccc1S(C1=Cc2cc(Br)cc(OC)c2OC1=O)(=O)=O

InChI

InChI=1S/C20H19BrO5S/c1-20(2,3)13-5-7-15(8-6-13)27(23,24)17-10-12-9-14(21)11-16(25-4)18(12)26-19(17)22/h5-11H,1-4H3

InChI Key

PCBNHGIHBVIWJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.467

Distribution Coefficient, logD

5.467

Water Solubility, LogSw

-5.55

Polar Surface Area

57.976

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C566-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C566-1055?
Check Price and Availability of C566-1055, 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 C566-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C566-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C566-1055
  • 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 C566-1055 available by request