1779-0555 Screening compound: 2-chloro-N-ethyl-N-(2-methylphenyl)-4-nitrobenzamide

1779-0555 Screening compound: 2-chloro-N-ethyl-N-(2-methylphenyl)-4-nitrobenzamide
1779-0555 Screening compound: 2-chloro-N-ethyl-N-(2-methylphenyl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1779-0555
2-chloro-N-ethyl-N-(2-methylphenyl)-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

1779-0555

Molecular Formula

C16H15ClN2O3 (C16 H15 ClN2 O3)

Compound Name

2-chloro-N-ethyl-N-(2-methylphenyl)-4-nitrobenzamide

IUPAC name

2-chloro-N-ethyl-N-(2-methylphenyl)-4-nitrobenzamide

SMILES

CCN(C(c(ccc([N+]([O-])=O)c1)c1Cl)=O)c1c(C)cccc1

InChI

InChI=1S/C16H15ClN2O3/c1-3-18(15-7-5-4-6-11(15)2)16(20)13-9-8-12(19(21)22)10-14(13)17/h4-10H,3H2,1-2H3

InChI Key

FQNPUSGXEQNJMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00784049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.267

Distribution Coefficient, logD

4.267

Water Solubility, LogSw

-4.68

Polar Surface Area

48.666

Acid Dissociation Constant (pKa)

28.05

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

1779-0555 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1779-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1779-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1779-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1779-0555
  • 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 1779-0555 available by request