D079-0079 Screening compound: 2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

D079-0079 Screening compound: 2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
D079-0079 Screening compound: 2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D079-0079
2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

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

D079-0079

Molecular Formula

C17H17N3O2 (C17 H17 N3 O2)

Compound Name

2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

IUPAC name

2-ethoxy-N-[(5-phenyl-134-oxadiazol-2-yl)methyl]aniline

SMILES

CCOc(cccc1)c1NCc1nnc(-c2ccccc2)o1

InChI

InChI=1S/C17H17N3O2/c1-2-21-15-11-7-6-10-14(15)18-12-16-19-20-17(22-16)13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3

InChI Key

JCJPTUCWFRBBEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06763117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.299

Water Solubility, LogSw

-3.39

Polar Surface Area

47.167

Acid Dissociation Constant (pKa)

18.62

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D079-0079 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D079-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D079-0079?
Check Price and Availability of D079-0079, 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 D079-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D079-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D079-0079
  • 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 D079-0079 available by request