6807-0983 Screening compound: N-(4-bromobenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)cyclohexanecarboxamide

6807-0983 Screening compound: N-(4-bromobenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)cyclohexanecarboxamide
6807-0983 Screening compound: N-(4-bromobenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6807-0983
N-(4-bromobenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)cyclohexanecarboxamide

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

6807-0983

Molecular Formula

C20H18BrNO5S2 (C20 H18 BrNO5 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCCCC1)N(c(cc1)cc(S2)c1OC2=O)S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C20H18BrNO5S2/c21-14-6-9-16(10-7-14)29(25,26)22(19(23)13-4-2-1-3-5-13)15-8-11-17-18(12-15)28-20(24)27-17/h6-13H,1-5H2

InChI Key

UIWFFAGUCNUANJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.4

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

5.123

Distribution Coefficient, logD

5.123

Water Solubility, LogSw

-5.30

Polar Surface Area

67.811

Acid Dissociation Constant (pKa)

19.87

Base Dissociation Constant (pKb)

-15.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

6807-0983 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6807-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6807-0983?
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What is the minimum amount of 6807-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6807-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6807-0983
  • 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 6807-0983 available by request