4031-1686 Screening compound: N'-(3,4-dimethylphenyl)-N-[(oxolan-2-yl)methyl]ethanediamide

4031-1686 Screening compound: N'-(3,4-dimethylphenyl)-N-[(oxolan-2-yl)methyl]ethanediamide
4031-1686 Screening compound: N'-(3,4-dimethylphenyl)-N-[(oxolan-2-yl)methyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-1686
N'-(3,4-dimethylphenyl)-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

4031-1686

Molecular Formula

C15H20N2O3 (C15 H20 N2 O3)

Compound Name

N'-(3,4-dimethylphenyl)-N-[(oxolan-2-yl)methyl]ethanediamide

IUPAC name

N'-(34-dimethylphenyl)-N-[(oxolan-2-yl)methyl]ethanediamide

SMILES

Cc(cc1)c(C)cc1NC(C(NCC1OCCC1)=O)=O

InChI

InChI=1S/C15H20N2O3/c1-10-5-6-12(8-11(10)2)17-15(19)14(18)16-9-13-4-3-7-20-13/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,16,18)(H,17,19)/t13-/m1/s1

InChI Key

YHNZOFJSWGMHLE-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01060367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.723

Distribution Coefficient, logD

1.639

Water Solubility, LogSw

-2.26

Polar Surface Area

56.669

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

4031-1686 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4031-1686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-1686?
Check Price and Availability of 4031-1686, 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 4031-1686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-1686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-1686
  • 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 4031-1686 available by request