6807-0848 Screening compound: N-(4-tert-butylbenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)pyridine-4-carboxamide

6807-0848 Screening compound: N-(4-tert-butylbenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)pyridine-4-carboxamide
6807-0848 Screening compound: N-(4-tert-butylbenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6807-0848
N-(4-tert-butylbenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)pyridine-4-carboxamide

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

6807-0848

Molecular Formula

C23H20N2O5S2 (C23 H20 N2 O5 S2)

Compound Name

N-(4-tert-butylbenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)pyridine-4-carboxamide

IUPAC name

N-(4-tert-butylbenzenesulfonyl)-N-(2-oxo-2H-13-benzoxathiol-5-yl)pyridine-4-carboxamide

SMILES

CC(C)(C)c(cc1)ccc1S(N(C(c1ccncc1)=O)c(cc1)cc(S2)c1OC2=O)(=O)=O

InChI

InChI=1S/C23H20N2O5S2/c1-23(2,3)16-4-7-18(8-5-16)32(28,29)25(21(26)15-10-12-24-13-11-15)17-6-9-19-20(14-17)31-22(27)30-19/h4-14H,1-3H3

InChI Key

GLVCSFYKJKNIFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05804292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.436

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.31

Polar Surface Area

77.047

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 6807-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6807-0848?
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What is the minimum amount of 6807-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6807-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6807-0848
  • 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 6807-0848 available by request