6456-0574 Screening compound: N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide

6456-0574 Screening compound: N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide
6456-0574 Screening compound: N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6456-0574
N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide

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

6456-0574

Molecular Formula

C13H16ClN3O2 (C13 H16 ClN3 O2)

Compound Name

N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide

IUPAC name

N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide

SMILES

Cc(c(NC(CC1NCCNC1=O)=O)ccc1)c1Cl

InChI

InChI=1S/C13H16ClN3O2/c1-8-9(14)3-2-4-10(8)17-12(18)7-11-13(19)16-6-5-15-11/h2-4,11,15H,5-7H2,1H3,(H,16,19)(H,17,18)/t11-/m0/s1

InChI Key

HCLQSVITHNJPCQ-NSHDSACASA-N

MDL Number (MFCD)

MFCD03904319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.489

Distribution Coefficient, logD

0.199

Water Solubility, LogSw

-2.13

Polar Surface Area

60.067

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

7.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

6456-0574 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6456-0574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6456-0574?
Check Price and Availability of 6456-0574, 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 6456-0574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6456-0574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6456-0574
  • 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 6456-0574 available by request