6807-0398 Screening compound: N-(4-bromobenzenesulfonyl)-4-chloro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzamide

6807-0398 Screening compound: N-(4-bromobenzenesulfonyl)-4-chloro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzamide
6807-0398 Screening compound: N-(4-bromobenzenesulfonyl)-4-chloro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6807-0398
N-(4-bromobenzenesulfonyl)-4-chloro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzamide

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

6807-0398

Molecular Formula

C20H11BrClNO5S2 (C20 H11 BrClNO5 S2)

Compound Name

N-(4-bromobenzenesulfonyl)-4-chloro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzamide

IUPAC name

N-(4-bromobenzenesulfonyl)-4-chloro-N-(2-oxo-2H-13-benzoxathiol-5-yl)benzamide

SMILES

O=C(c(cc1)ccc1Cl)N(c(cc1)cc(S2)c1OC2=O)S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C20H11BrClNO5S2/c21-13-3-8-16(9-4-13)30(26,27)23(19(24)12-1-5-14(22)6-2-12)15-7-10-17-18(11-15)29-20(25)28-17/h1-11H

InChI Key

CCEBGNANUVMKQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.8

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.319

Distribution Coefficient, logD

5.319

Water Solubility, LogSw

-6.08

Polar Surface Area

67.618

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-17.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 6807-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6807-0398?
Check Price and Availability of 6807-0398, 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 6807-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6807-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6807-0398
  • 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 6807-0398 available by request