G642-0451 Screening compound: N-{3-[4-acetyl-5-(pyridin-3-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-methylbenzamide

G642-0451 Screening compound: N-{3-[4-acetyl-5-(pyridin-3-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-methylbenzamide
G642-0451 Screening compound: N-{3-[4-acetyl-5-(pyridin-3-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-0451
N-{3-[4-acetyl-5-(pyridin-3-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-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

G642-0451

Molecular Formula

C23H20N4O3 (C23 H20 N4 O3)

Compound Name

N-{3-[4-acetyl-5-(pyridin-3-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-methylbenzamide

IUPAC name

N-{3-[4-acetyl-5-(pyridin-3-yl)-45-dihydro-134-oxadiazol-2-yl]phenyl}-3-methylbenzamide

SMILES

CC(N1N=C(c2cccc(NC(c3cc(C)ccc3)=O)c2)OC1c1cnccc1)=O

InChI

InChI=1S/C23H20N4O3/c1-15-6-3-7-17(12-15)21(29)25-20-10-4-8-18(13-20)22-26-27(16(2)28)23(30-22)19-9-5-11-24-14-19/h3-14,23H,1-2H3,(H,25,29)/t23-/m1/s1

InChI Key

GRJXDMXQNRUZIA-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD15025129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.578

Distribution Coefficient, logD

3.578

Water Solubility, LogSw

-3.36

Polar Surface Area

67.860

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

G642-0451 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G642-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-0451?
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What is the minimum amount of G642-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-0451
  • 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 G642-0451 available by request