0489-0048 Screening compound: N-(4-methoxyphenyl)-4-({4-[(4-methoxyphenyl)sulfamoyl]phenyl}methyl)benzene-1-sulfonamide

0489-0048 Screening compound: N-(4-methoxyphenyl)-4-({4-[(4-methoxyphenyl)sulfamoyl]phenyl}methyl)benzene-1-sulfonamide
0489-0048 Screening compound: N-(4-methoxyphenyl)-4-({4-[(4-methoxyphenyl)sulfamoyl]phenyl}methyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0489-0048
N-(4-methoxyphenyl)-4-({4-[(4-methoxyphenyl)sulfamoyl]phenyl}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

0489-0048

Molecular Formula

C27H26N2O6S2 (C27 H26 N2 O6 S2)

Compound Name

N-(4-methoxyphenyl)-4-({4-[(4-methoxyphenyl)sulfamoyl]phenyl}methyl)benzene-1-sulfonamide

IUPAC name

N-(4-methoxyphenyl)-4-({4-[(4-methoxyphenyl)sulfamoyl]phenyl}methyl)benzene-1-sulfonamide

SMILES

COc(cc1)ccc1NS(c1ccc(Cc(cc2)ccc2S(Nc(cc2)ccc2OC)(=O)=O)cc1)(=O)=O

InChI

InChI=1S/C27H26N2O6S2/c1-34-24-11-7-22(8-12-24)28-36(30,31)26-15-3-20(4-16-26)19-21-5-17-27(18-6-21)37(32,33)29-23-9-13-25(35-2)14-10-23/h3-18,28-29H,19H2,1-2H3

InChI Key

HHNZITRKLWKGOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00492923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.379

Distribution Coefficient, logD

5.345

Water Solubility, LogSw

-5.62

Polar Surface Area

96.354

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

-8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

0489-0048 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 0489-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0489-0048?
Check Price and Availability of 0489-0048, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0489-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0489-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0489-0048
  • 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 0489-0048 available by request