6807-0961 Screening compound: N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(thiophene-2-sulfonyl)pyridine-3-carboxamide

6807-0961 Screening compound: N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(thiophene-2-sulfonyl)pyridine-3-carboxamide
6807-0961 Screening compound: N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(thiophene-2-sulfonyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6807-0961
N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(thiophene-2-sulfonyl)pyridine-3-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

6807-0961

Molecular Formula

C17H10N2O5S3 (C17 H10 N2 O5 S3)

Compound Name

N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(thiophene-2-sulfonyl)pyridine-3-carboxamide

IUPAC name

N-(2-oxo-2H-13-benzoxathiol-5-yl)-N-(thiophene-2-sulfonyl)pyridine-3-carboxamide

SMILES

O=C(c1cnccc1)N(c(cc1)cc(S2)c1OC2=O)S(c1cccs1)(=O)=O

InChI

InChI=1S/C17H10N2O5S3/c20-16(11-3-1-7-18-10-11)19(27(22,23)15-4-2-8-25-15)12-5-6-13-14(9-12)26-17(21)24-13/h1-10H

InChI Key

SNXRGEXPONEGHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05804854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.260

Distribution Coefficient, logD

2.260

Water Solubility, LogSw

-2.48

Polar Surface Area

78.155

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6807-0961 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6807-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6807-0961?
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What is the minimum amount of 6807-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6807-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6807-0961
  • 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 6807-0961 available by request