1778-1440 Screening compound: N-(3-chloro-4-fluorophenyl)-2-nitrobenzene-1-sulfonamide

1778-1440 Screening compound: N-(3-chloro-4-fluorophenyl)-2-nitrobenzene-1-sulfonamide
1778-1440 Screening compound: N-(3-chloro-4-fluorophenyl)-2-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1778-1440
N-(3-chloro-4-fluorophenyl)-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

1778-1440

Molecular Formula

C12H8ClFN2O4S (C12 H8 ClFN2 O4 S)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-nitrobenzene-1-sulfonamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-nitrobenzene-1-sulfonamide

SMILES

[O-][N+](c(cccc1)c1S(Nc(cc1)cc(Cl)c1F)(=O)=O)=O

InChI

InChI=1S/C12H8ClFN2O4S/c13-9-7-8(5-6-10(9)14)15-21(19,20)12-4-2-1-3-11(12)16(17)18/h1-7,15H

InChI Key

FAHVHGSTKKCAGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01213807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.192

Distribution Coefficient, logD

0.578

Water Solubility, LogSw

-3.67

Polar Surface Area

73.969

Acid Dissociation Constant (pKa)

4.79

Base Dissociation Constant (pKb)

-12.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1778-1440 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1778-1440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1778-1440?
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What is the minimum amount of 1778-1440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1778-1440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1778-1440
  • 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 1778-1440 available by request