D109-0166 Screening compound: N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide

D109-0166 Screening compound: N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide
D109-0166 Screening compound: N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D109-0166
N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide

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

D109-0166

Molecular Formula

C16H21N3O4 (C16 H21 N3 O4)

Compound Name

N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide

IUPAC name

N-[4-(34-diethoxyphenyl)-125-oxadiazol-3-yl]-2-methylpropanamide

SMILES

CCOc(ccc(-c1nonc1NC(C(C)C)=O)c1)c1OCC

InChI

InChI=1S/C16H21N3O4/c1-5-21-12-8-7-11(9-13(12)22-6-2)14-15(19-23-18-14)17-16(20)10(3)4/h7-10H,5-6H2,1-4H3,(H,17,19,20)

InChI Key

PXTTUWSNNYRFQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.281

Distribution Coefficient, logD

3.278

Water Solubility, LogSw

-3.40

Polar Surface Area

74.778

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D109-0166 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 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:
  • Cancer
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D109-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D109-0166?
Check Price and Availability of D109-0166, 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 D109-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D109-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D109-0166
  • 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 D109-0166 available by request