Y031-9936 Screening compound: N-[3-(acetylamino)phenyl]-2,5-dichlorobenzamide

Y031-9936 Screening compound: N-[3-(acetylamino)phenyl]-2,5-dichlorobenzamide
Y031-9936 Screening compound: N-[3-(acetylamino)phenyl]-2,5-dichlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9936
N-[3-(acetylamino)phenyl]-2,5-dichlorobenzamide

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

Y031-9936

Molecular Formula

C15H12Cl2N2O2 (C15 H12 Cl2 N2 O2)

Compound Name

N-[3-(acetylamino)phenyl]-2,5-dichlorobenzamide

IUPAC name

25-dichloro-N-(3-acetamidophenyl)benzamide

SMILES

CC(Nc1cccc(NC(c(cc(cc2)Cl)c2Cl)=O)c1)=O

InChI

InChI=1S/C15H12Cl2N2O2/c1-9(20)18-11-3-2-4-12(8-11)19-15(21)13-7-10(16)5-6-14(13)17/h2-8H,1H3,(H,18,20)(H,19,21)

InChI Key

ACHHNNCGMHNGDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01195634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.459

Distribution Coefficient, logD

3.458

Water Solubility, LogSw

-3.89

Polar Surface Area

46.592

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

Y031-9936 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y031-9936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9936?
Check Price and Availability of Y031-9936, 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 Y031-9936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9936
  • 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 Y031-9936 available by request