4100-2579 Screening compound: 4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-sulfonamide

4100-2579 Screening compound: 4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-sulfonamide
4100-2579 Screening compound: 4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-2579
4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]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

4100-2579

Molecular Formula

C14H15N3O6S2 (C14 H15 N3 O6 S2)

Compound Name

4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-sulfonamide

IUPAC name

4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-sulfonamide

SMILES

NS(c1ccc(CCNS(c(cc2)ccc2[N+]([O-])=O)(=O)=O)cc1)(=O)=O

InChI

InChI=1S/C14H15N3O6S2/c15-24(20,21)13-5-1-11(2-6-13)9-10-16-25(22,23)14-7-3-12(4-8-14)17(18)19/h1-8,16H,9-10H2,(H2,15,20,21)

InChI Key

IOUPLWDACNSBDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02603824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.42

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.346

Distribution Coefficient, logD

1.346

Water Solubility, LogSw

-2.30

Polar Surface Area

125.823

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4100-2579 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4100-2579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-2579?
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What is the minimum amount of 4100-2579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-2579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-2579
  • 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 4100-2579 available by request