8018-5890 Screening compound: 4-bromo-3-methoxy-N-[(pyridin-4-yl)methyl]benzene-1-sulfonamide

8018-5890 Screening compound: 4-bromo-3-methoxy-N-[(pyridin-4-yl)methyl]benzene-1-sulfonamide
8018-5890 Screening compound: 4-bromo-3-methoxy-N-[(pyridin-4-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5890
4-bromo-3-methoxy-N-[(pyridin-4-yl)methyl]benzene-1-sulfonamide

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

8018-5890

Molecular Formula

C13H13BrN2O3S (C13 H13 BrN2 O3 S)

Compound Name

4-bromo-3-methoxy-N-[(pyridin-4-yl)methyl]benzene-1-sulfonamide

IUPAC name

4-bromo-3-methoxy-N-[(pyridin-4-yl)methyl]benzene-1-sulfonamide

SMILES

COc(cc(cc1)S(NCc2ccncc2)(=O)=O)c1Br

InChI

InChI=1S/C13H13BrN2O3S/c1-19-13-8-11(2-3-12(13)14)20(17,18)16-9-10-4-6-15-7-5-10/h2-8,16H,9H2,1H3

InChI Key

BGWSCKBMCFTTFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06632708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.113

Distribution Coefficient, logD

2.100

Water Solubility, LogSw

-2.61

Polar Surface Area

59.055

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8018-5890 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Immunological Library (6760 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-5890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5890?
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What is the minimum amount of 8018-5890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5890
  • 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 8018-5890 available by request