6807-0934 Screening compound: N-(2,5-dichlorobenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)pyridine-4-carboxamide

6807-0934 Screening compound: N-(2,5-dichlorobenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)pyridine-4-carboxamide
6807-0934 Screening compound: N-(2,5-dichlorobenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6807-0934
N-(2,5-dichlorobenzenesulfonyl)-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

6807-0934

Molecular Formula

C19H10Cl2N2O5S2 (C19 H10 Cl2 N2 O5 S2)

Compound Name

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

IUPAC name

N-(25-dichlorobenzenesulfonyl)-N-(2-oxo-2H-13-benzoxathiol-5-yl)pyridine-4-carboxamide

SMILES

O=C(c1ccncc1)N(c(cc1)cc(S2)c1OC2=O)S(c(cc(cc1)Cl)c1Cl)(=O)=O

InChI

InChI=1S/C19H10Cl2N2O5S2/c20-12-1-3-14(21)17(9-12)30(26,27)23(18(24)11-5-7-22-8-6-11)13-2-4-15-16(10-13)29-19(25)28-15/h1-10H

InChI Key

LDQJPIOULHOPPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05804829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.34

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

3.422

Distribution Coefficient, logD

3.422

Water Solubility, LogSw

-4.00

Polar Surface Area

77.047

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6807-0934 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 6807-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6807-0934?
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What is the minimum amount of 6807-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6807-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6807-0934
  • 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 6807-0934 available by request