0438-0400 Screening compound: 4-chloro-3-nitrobenzene-1-sulfonamide

0438-0400 Screening compound: 4-chloro-3-nitrobenzene-1-sulfonamide
0438-0400 Screening compound: 4-chloro-3-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0438-0400
4-chloro-3-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

0438-0400

Molecular Formula

C6H5ClN2O4S (C6 H5 ClN2 O4 S)

Compound Name

4-chloro-3-nitrobenzene-1-sulfonamide

IUPAC name

4-chloro-3-nitrobenzene-1-sulfonamide

SMILES

NS(c(cc1)cc([N+]([O-])=O)c1Cl)(=O)=O

InChI

InChI=1S/C6H5ClN2O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,(H2,8,12,13)

InChI Key

SPZGXONNVLTQDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00035783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.123

Distribution Coefficient, logD

1.122

Water Solubility, LogSw

-2.76

Polar Surface Area

83.922

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0438-0400 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0438-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0438-0400?
Check Price and Availability of 0438-0400, 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 0438-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0438-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0438-0400
  • 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 0438-0400 available by request