1431-0009 Screening compound: N-(3,5-dibromo-4-hydroxyphenyl)-4-methylbenzene-1-sulfonamide

1431-0009 Screening compound: N-(3,5-dibromo-4-hydroxyphenyl)-4-methylbenzene-1-sulfonamide
1431-0009 Screening compound: N-(3,5-dibromo-4-hydroxyphenyl)-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1431-0009
N-(3,5-dibromo-4-hydroxyphenyl)-4-methylbenzene-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

1431-0009

Molecular Formula

C13H11Br2NO3S (C13 H11 Br2 NO3 S)

Compound Name

N-(3,5-dibromo-4-hydroxyphenyl)-4-methylbenzene-1-sulfonamide

IUPAC name

N-(35-dibromo-4-hydroxyphenyl)-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(Nc(cc1Br)cc(Br)c1O)(=O)=O

InChI

InChI=1S/C13H11Br2NO3S/c1-8-2-4-10(5-3-8)20(18,19)16-9-6-11(14)13(17)12(15)7-9/h2-7,16-17H,1H3

InChI Key

HAYLIGDJFXRLMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00188205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.11

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

1.431

Water Solubility, LogSw

-3.95

Polar Surface Area

56.367

Acid Dissociation Constant (pKa)

4.83

Base Dissociation Constant (pKb)

-9.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1431-0009 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with 1431-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1431-0009?
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What is the minimum amount of 1431-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1431-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1431-0009
  • 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 1431-0009 available by request