4478-3484 Screening compound: N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-2-nitrobenzene-1-sulfonamide

4478-3484 Screening compound: N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-2-nitrobenzene-1-sulfonamide
4478-3484 Screening compound: N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-2-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-3484
N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-2-nitrobenzene-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

4478-3484

Molecular Formula

C16H15N5O6S3 (C16 H15 N5 O6 S3)

Compound Name

N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-2-nitrobenzene-1-sulfonamide

IUPAC name

N-{4-[(5-ethyl-134-thiadiazol-2-yl)sulfamoyl]phenyl}-2-nitrobenzene-1-sulfonamide

SMILES

CCc1nnc(NS(c(cc2)ccc2NS(c(cccc2)c2[N+]([O-])=O)(=O)=O)(=O)=O)s1

InChI

InChI=1S/C16H15N5O6S3/c1-2-15-17-18-16(28-15)20-29(24,25)12-9-7-11(8-10-12)19-30(26,27)14-6-4-3-5-13(14)21(22)23/h3-10,19H,2H2,1H3,(H,18,20)

InChI Key

WPKLLAJYXHLWJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00561567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.52

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.590

Distribution Coefficient, logD

0.404

Water Solubility, LogSw

-3.08

Polar Surface Area

138.658

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4478-3484 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4478-3484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-3484?
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What is the minimum amount of 4478-3484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-3484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-3484
  • 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 4478-3484 available by request