D160-0051 Screening compound: N-(4-ethyl-1,2,5-oxadiazol-3-yl)-4-(prop-2-en-1-yloxy)benzamide

D160-0051 Screening compound: N-(4-ethyl-1,2,5-oxadiazol-3-yl)-4-(prop-2-en-1-yloxy)benzamide
D160-0051 Screening compound: N-(4-ethyl-1,2,5-oxadiazol-3-yl)-4-(prop-2-en-1-yloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D160-0051
N-(4-ethyl-1,2,5-oxadiazol-3-yl)-4-(prop-2-en-1-yloxy)benzamide

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

D160-0051

Molecular Formula

C14H15N3O3 (C14 H15 N3 O3)

Compound Name

N-(4-ethyl-1,2,5-oxadiazol-3-yl)-4-(prop-2-en-1-yloxy)benzamide

IUPAC name

N-(4-ethyl-125-oxadiazol-3-yl)-4-(prop-2-en-1-yloxy)benzamide

SMILES

CCc1nonc1NC(c(cc1)ccc1OCC=C)=O

InChI

InChI=1S/C14H15N3O3/c1-3-9-19-11-7-5-10(6-8-11)14(18)15-13-12(4-2)16-20-17-13/h3,5-8H,1,4,9H2,2H3,(H,15,17,18)

InChI Key

POYMHCRSWDTJSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-3.34

Polar Surface Area

68.271

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

D160-0051 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D160-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D160-0051?
Check Price and Availability of D160-0051, 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 D160-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D160-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D160-0051
  • 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 D160-0051 available by request