1778-0689 Screening compound: 2-chloro-N-(3-fluorophenyl)-4-nitrobenzamide

1778-0689 Screening compound: 2-chloro-N-(3-fluorophenyl)-4-nitrobenzamide
1778-0689 Screening compound: 2-chloro-N-(3-fluorophenyl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1778-0689
2-chloro-N-(3-fluorophenyl)-4-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

1778-0689

Molecular Formula

C13H8ClFN2O3 (C13 H8 ClFN2 O3)

Compound Name

2-chloro-N-(3-fluorophenyl)-4-nitrobenzamide

IUPAC name

2-chloro-N-(3-fluorophenyl)-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)cc(Cl)c1C(Nc1cc(F)ccc1)=O)=O

InChI

InChI=1S/C13H8ClFN2O3/c14-12-7-10(17(19)20)4-5-11(12)13(18)16-9-3-1-2-8(15)6-9/h1-7H,(H,16,18)

InChI Key

UQOMOPBNOFSPIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01034326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.650

Distribution Coefficient, logD

3.589

Water Solubility, LogSw

-4.29

Polar Surface Area

56.711

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1778-0689 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1778-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1778-0689?
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What is the minimum amount of 1778-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1778-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1778-0689
  • 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 1778-0689 available by request