G642-5823 Screening compound: 4-[4-acetyl-5-(4-methoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]benzonitrile

G642-5823 Screening compound: 4-[4-acetyl-5-(4-methoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]benzonitrile
G642-5823 Screening compound: 4-[4-acetyl-5-(4-methoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-5823
4-[4-acetyl-5-(4-methoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-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

G642-5823

Molecular Formula

C18H15N3O3 (C18 H15 N3 O3)

Compound Name

4-[4-acetyl-5-(4-methoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]benzonitrile

IUPAC name

4-[4-acetyl-5-(4-methoxyphenyl)-45-dihydro-134-oxadiazol-2-yl]benzonitrile

SMILES

CC(N1N=C(c(cc2)ccc2C#N)OC1c(cc1)ccc1OC)=O

InChI

InChI=1S/C18H15N3O3/c1-12(22)21-18(15-7-9-16(23-2)10-8-15)24-17(20-21)14-5-3-13(11-19)4-6-14/h3-10,18H,1-2H3/t18-/m0/s1

InChI Key

MOIVVKCWZJXPSN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15025472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.932

Distribution Coefficient, logD

2.932

Water Solubility, LogSw

-3.17

Polar Surface Area

59.851

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

G642-5823 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G642-5823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-5823?
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What is the minimum amount of G642-5823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-5823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-5823
  • 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 G642-5823 available by request