1778-0701 Screening compound: 2-chloro-N-(3-acetamidophenyl)-4-nitrobenzamide

1778-0701 Screening compound: 2-chloro-N-(3-acetamidophenyl)-4-nitrobenzamide
1778-0701 Screening compound: 2-chloro-N-(3-acetamidophenyl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1778-0701
2-chloro-N-(3-acetamidophenyl)-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

1778-0701

Molecular Formula

C15H12ClN3O4 (C15 H12 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1cccc(NC(c(ccc([N+]([O-])=O)c2)c2Cl)=O)c1)=O

InChI

InChI=1S/C15H12ClN3O4/c1-9(20)17-10-3-2-4-11(7-10)18-15(21)13-6-5-12(19(22)23)8-14(13)16/h2-8H,1H3,(H,17,20)(H,18,21)

InChI Key

QKGPEFPJXVYTSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01115596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

2.701

Water Solubility, LogSw

-3.83

Polar Surface Area

79.973

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

1778-0701 in Drug Discovery

Included in Screening Libraries

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 1778-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1778-0701?
Check Price and Availability of 1778-0701, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1778-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1778-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1778-0701
  • 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 1778-0701 available by request