D109-0096 Screening compound: N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide

D109-0096 Screening compound: N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide
D109-0096 Screening compound: N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D109-0096
N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide

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

D109-0096

Molecular Formula

C20H21N3O4 (C20 H21 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(-c1nonc1NC(c1ccc(C)cc1)=O)c1)c1OCC

InChI

InChI=1S/C20H21N3O4/c1-4-25-16-11-10-15(12-17(16)26-5-2)18-19(23-27-22-18)21-20(24)14-8-6-13(3)7-9-14/h6-12H,4-5H2,1-3H3,(H,21,23,24)

InChI Key

IPWMFJIZIJCAFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

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

4.211

Distribution Coefficient, logD

4.150

Water Solubility, LogSw

-4.18

Polar Surface Area

74.507

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

-7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D109-0096 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Nuclear receptors
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D109-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D109-0096?
Check Price and Availability of D109-0096, 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 D109-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D109-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D109-0096
  • 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 D109-0096 available by request