6696-0131 Screening compound: 2-(3-methylphenoxy)-N-{4-[2-(3-methylphenoxy)acetamido]-1,2,5-oxadiazol-3-yl}acetamide

6696-0131 Screening compound: 2-(3-methylphenoxy)-N-{4-[2-(3-methylphenoxy)acetamido]-1,2,5-oxadiazol-3-yl}acetamide
6696-0131 Screening compound: 2-(3-methylphenoxy)-N-{4-[2-(3-methylphenoxy)acetamido]-1,2,5-oxadiazol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6696-0131
2-(3-methylphenoxy)-N-{4-[2-(3-methylphenoxy)acetamido]-1,2,5-oxadiazol-3-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

6696-0131

Molecular Formula

C20H20N4O5 (C20 H20 N4 O5)

Compound Name

2-(3-methylphenoxy)-N-{4-[2-(3-methylphenoxy)acetamido]-1,2,5-oxadiazol-3-yl}acetamide

IUPAC name

2-(3-methylphenoxy)-N-{4-[2-(3-methylphenoxy)acetamido]-125-oxadiazol-3-yl}acetamide

SMILES

Cc1cccc(OCC(Nc2nonc2NC(COc2cc(C)ccc2)=O)=O)c1

InChI

InChI=1S/C20H20N4O5/c1-13-5-3-7-15(9-13)27-11-17(25)21-19-20(24-29-23-19)22-18(26)12-28-16-8-4-6-14(2)10-16/h3-10H,11-12H2,1-2H3,(H,21,23,25)(H,22,24,26)

InChI Key

QUXGDLYRIJTUQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03776200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.944

Distribution Coefficient, logD

2.125

Water Solubility, LogSw

-3.96

Polar Surface Area

97.890

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6696-0131 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 6696-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6696-0131?
Check Price and Availability of 6696-0131, 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 6696-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6696-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6696-0131
  • 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 6696-0131 available by request