3366-9462 Screening compound: 4-chloro-N-[4-(acetamidosulfonyl)phenyl]-2-nitrobenzamide

3366-9462 Screening compound: 4-chloro-N-[4-(acetamidosulfonyl)phenyl]-2-nitrobenzamide
3366-9462 Screening compound: 4-chloro-N-[4-(acetamidosulfonyl)phenyl]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3366-9462
4-chloro-N-[4-(acetamidosulfonyl)phenyl]-2-nitrobenzamide

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

3366-9462

Molecular Formula

C15H12ClN3O6S (C15 H12 ClN3 O6 S)

Compound Name

4-chloro-N-[4-(acetamidosulfonyl)phenyl]-2-nitrobenzamide

IUPAC name

4-chloro-N-[4-(acetamidosulfonyl)phenyl]-2-nitrobenzamide

SMILES

CC(NS(c(cc1)ccc1NC(c(ccc(Cl)c1)c1[N+]([O-])=O)=O)(=O)=O)=O

InChI

InChI=1S/C15H12ClN3O6S/c1-9(20)18-26(24,25)12-5-3-11(4-6-12)17-15(21)13-7-2-10(16)8-14(13)19(22)23/h2-8H,1H3,(H,17,21)(H,18,20)

InChI Key

WZZOICIJLLNNBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01359082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.8

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.677

Distribution Coefficient, logD

-0.602

Water Solubility, LogSw

-2.97

Polar Surface Area

111.409

Acid Dissociation Constant (pKa)

5.12

Base Dissociation Constant (pKb)

-5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

3366-9462 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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 3366-9462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3366-9462?
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What is the minimum amount of 3366-9462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3366-9462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3366-9462
  • 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 3366-9462 available by request