G945-0344 Screening compound: 4-[3-(1-propyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

G945-0344 Screening compound: 4-[3-(1-propyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
G945-0344 Screening compound: 4-[3-(1-propyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0344
4-[3-(1-propyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

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

G945-0344

Molecular Formula

C19H15N5O (C19 H15 N5 O)

Compound Name

4-[3-(1-propyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

IUPAC name

4-[3-(1-propyl-1H-13-benzodiazol-5-yl)-124-oxadiazol-5-yl]benzonitrile

SMILES

CCCn1c(ccc(-c2noc(-c(cc3)ccc3C#N)n2)c2)c2nc1

InChI

InChI=1S/C19H15N5O/c1-2-9-24-12-21-16-10-15(7-8-17(16)24)18-22-19(25-23-18)14-5-3-13(11-20)4-6-14/h3-8,10,12H,2,9H2,1H3

InChI Key

TWCVDOAOGJRMIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

3.947

Water Solubility, LogSw

-4.00

Polar Surface Area

59.135

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

G945-0344 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G945-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0344?
Check Price and Availability of G945-0344, 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 G945-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0344
  • 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 G945-0344 available by request