0622-0078 Screening compound: 2-chloro-N-(3-methylphenyl)-3-(4-nitrophenyl)-3-oxopropanamide

0622-0078 Screening compound: 2-chloro-N-(3-methylphenyl)-3-(4-nitrophenyl)-3-oxopropanamide
0622-0078 Screening compound: 2-chloro-N-(3-methylphenyl)-3-(4-nitrophenyl)-3-oxopropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0622-0078
2-chloro-N-(3-methylphenyl)-3-(4-nitrophenyl)-3-oxopropanamide

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

0622-0078

Molecular Formula

C16H13ClN2O4 (C16 H13 ClN2 O4)

Compound Name

2-chloro-N-(3-methylphenyl)-3-(4-nitrophenyl)-3-oxopropanamide

IUPAC name

2-chloro-N-(3-methylphenyl)-3-(4-nitrophenyl)-3-oxopropanamide

SMILES

Cc1cccc(NC(C(C(c(cc2)ccc2[N+]([O-])=O)=O)Cl)=O)c1

InChI

InChI=1S/C16H13ClN2O4/c1-10-3-2-4-12(9-10)18-16(21)14(17)15(20)11-5-7-13(8-6-11)19(22)23/h2-9,14H,1H3,(H,18,21)/t14-/m0/s1

InChI Key

LAFIWRYERCUEOP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00394982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.393

Distribution Coefficient, logD

3.386

Water Solubility, LogSw

-3.70

Polar Surface Area

70.450

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

0622-0078 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 0622-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0622-0078?
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What is the minimum amount of 0622-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0622-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0622-0078
  • 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 0622-0078 available by request