4031-0957 Screening compound: N'-(4-chlorophenyl)-N-methylethanediamide

4031-0957 Screening compound: N'-(4-chlorophenyl)-N-methylethanediamide
4031-0957 Screening compound: N'-(4-chlorophenyl)-N-methylethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-0957
N'-(4-chlorophenyl)-N-methylethanediamide

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

4031-0957

Molecular Formula

C9H9ClN2O2 (C9 H9 ClN2 O2)

Compound Name

N'-(4-chlorophenyl)-N-methylethanediamide

IUPAC name

N'-(4-chlorophenyl)-N-methylethanediamide

SMILES

CNC(C(Nc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C9H9ClN2O2/c1-11-8(13)9(14)12-7-4-2-6(10)3-5-7/h2-5H,1H3,(H,11,13)(H,12,14)

InChI Key

FOBGRSUOZVVJLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00713027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

212.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.123

Distribution Coefficient, logD

-0.102

Water Solubility, LogSw

-2.42

Polar Surface Area

48.436

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4031-0957 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Structure:
  • Pool
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4031-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-0957?
Check Price and Availability of 4031-0957, 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 4031-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-0957
  • 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 4031-0957 available by request