6069-2687 Screening compound: N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-methyl-1-benzenesulfonamide

6069-2687 Screening compound: N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-methyl-1-benzenesulfonamide
6069-2687 Screening compound: N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6069-2687
N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-methyl-1-benzenesulfonamide

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

6069-2687

Molecular Formula

C17H16BrNO4S2 (C17 H16 BrNO4 S2)

Compound Name

N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-methyl-1-benzenesulfonamide

IUPAC name

N-(4-bromophenyl)-N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(C(C1)C=CS1(=O)=O)c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C17H16BrNO4S2/c1-13-2-8-17(9-3-13)25(22,23)19(15-6-4-14(18)5-7-15)16-10-11-24(20,21)12-16/h2-11,16H,12H2,1H3/t16-/m1/s1

InChI Key

XBGMDPTYESCEPH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03847337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.818

Distribution Coefficient, logD

3.818

Water Solubility, LogSw

-3.91

Polar Surface Area

60.621

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

-14.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

6069-2687 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6069-2687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6069-2687?
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What is the minimum amount of 6069-2687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6069-2687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6069-2687
  • 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 6069-2687 available by request