G945-0179 Screening compound: N-{[3-(1-ethyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide

G945-0179 Screening compound: N-{[3-(1-ethyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide
G945-0179 Screening compound: N-{[3-(1-ethyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0179
N-{[3-(1-ethyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-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

G945-0179

Molecular Formula

C20H19N5O2 (C20 H19 N5 O2)

Compound Name

N-{[3-(1-ethyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide

IUPAC name

N-{[3-(1-ethyl-1H-13-benzodiazol-5-yl)-124-oxadiazol-5-yl]methyl}-4-methylbenzamide

SMILES

CCn1c(ccc(-c2noc(CNC(c3ccc(C)cc3)=O)n2)c2)c2nc1

InChI

InChI=1S/C20H19N5O2/c1-3-25-12-22-16-10-15(8-9-17(16)25)19-23-18(27-24-19)11-21-20(26)14-6-4-13(2)5-7-14/h4-10,12H,3,11H2,1-2H3,(H,21,26)

InChI Key

LBOUHTWDKPKBMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.374

Distribution Coefficient, logD

3.374

Water Solubility, LogSw

-3.49

Polar Surface Area

66.176

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G945-0179 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G945-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0179?
Check Price and Availability of G945-0179, 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 G945-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0179
  • 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 G945-0179 available by request