4191-3753 Screening compound: N'-[2-(4-methoxyphenyl)ethyl]-N-[(oxolan-2-yl)methyl]ethanediamide

4191-3753 Screening compound: N'-[2-(4-methoxyphenyl)ethyl]-N-[(oxolan-2-yl)methyl]ethanediamide
4191-3753 Screening compound: N'-[2-(4-methoxyphenyl)ethyl]-N-[(oxolan-2-yl)methyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4191-3753
N'-[2-(4-methoxyphenyl)ethyl]-N-[(oxolan-2-yl)methyl]ethanediamide

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

4191-3753

Molecular Formula

C16H22N2O4 (C16 H22 N2 O4)

Compound Name

N'-[2-(4-methoxyphenyl)ethyl]-N-[(oxolan-2-yl)methyl]ethanediamide

IUPAC name

N'-[2-(4-methoxyphenyl)ethyl]-N-[(oxolan-2-yl)methyl]ethanediamide

SMILES

COc1ccc(CCNC(C(NCC2OCCC2)=O)=O)cc1

InChI

InChI=1S/C16H22N2O4/c1-21-13-6-4-12(5-7-13)8-9-17-15(19)16(20)18-11-14-3-2-10-22-14/h4-7,14H,2-3,8-11H2,1H3,(H,17,19)(H,18,20)/t14-/m1/s1

InChI Key

TWXIEZLWQQYBBX-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01202247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.402

Distribution Coefficient, logD

0.400

Water Solubility, LogSw

-1.84

Polar Surface Area

65.376

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

4191-3753 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 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
  • Pool
Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4191-3753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4191-3753?
Check Price and Availability of 4191-3753, 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 4191-3753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4191-3753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4191-3753
  • 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 4191-3753 available by request