7596-0021 Screening compound: 4-amino-N-(2-{[(3-ethoxyphenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

7596-0021 Screening compound: 4-amino-N-(2-{[(3-ethoxyphenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide
7596-0021 Screening compound: 4-amino-N-(2-{[(3-ethoxyphenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7596-0021
4-amino-N-(2-{[(3-ethoxyphenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

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

7596-0021

Molecular Formula

C14H19N5O3 (C14 H19 N5 O3)

Compound Name

4-amino-N-(2-{[(3-ethoxyphenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

IUPAC name

4-amino-N-(2-{[(3-ethoxyphenyl)methyl]amino}ethyl)-125-oxadiazole-3-carboxamide

SMILES

CCOc1cccc(CNCCNC(c2nonc2N)=O)c1

InChI

InChI=1S/C14H19N5O3/c1-2-21-11-5-3-4-10(8-11)9-16-6-7-17-14(20)12-13(15)19-22-18-12/h3-5,8,16H,2,6-7,9H2,1H3,(H2,15,19)(H,17,20)

InChI Key

OHRFDYUWKHEPNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05881867

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

305.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.761

Distribution Coefficient, logD

-1.683

Water Solubility, LogSw

-1.91

Polar Surface Area

100.581

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

9.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

7596-0021 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Receptors Annotated Library (5376 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 7596-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7596-0021?
Check Price and Availability of 7596-0021, 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 7596-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7596-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7596-0021
  • 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 7596-0021 available by request