6807-0018 Screening compound: 4-tert-butyl-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide

6807-0018 Screening compound: 4-tert-butyl-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide
6807-0018 Screening compound: 4-tert-butyl-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6807-0018
4-tert-butyl-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide

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

6807-0018

Molecular Formula

C17H17NO4S2 (C17 H17 NO4 S2)

Compound Name

4-tert-butyl-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide

IUPAC name

4-tert-butyl-N-(2-oxo-2H-13-benzoxathiol-5-yl)benzene-1-sulfonamide

SMILES

CC(C)(C)c(cc1)ccc1S(Nc(cc1)cc(S2)c1OC2=O)(=O)=O

InChI

InChI=1S/C17H17NO4S2/c1-17(2,3)11-4-7-13(8-5-11)24(20,21)18-12-6-9-14-15(10-12)23-16(19)22-14/h4-10,18H,1-3H3

InChI Key

XBVXWABJISYJOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.747

Distribution Coefficient, logD

4.705

Water Solubility, LogSw

-4.63

Polar Surface Area

62.960

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

-10.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

6807-0018 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6807-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6807-0018?
Check Price and Availability of 6807-0018, 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 6807-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6807-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6807-0018
  • 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 6807-0018 available by request