G642-7685 Screening compound: 2-{3-acetyl-5-[2-(acetyloxy)-5-methylphenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl acetate

G642-7685 Screening compound: 2-{3-acetyl-5-[2-(acetyloxy)-5-methylphenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl acetate
G642-7685 Screening compound: 2-{3-acetyl-5-[2-(acetyloxy)-5-methylphenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-7685
2-{3-acetyl-5-[2-(acetyloxy)-5-methylphenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl acetate

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

G642-7685

Molecular Formula

C23H20N2O6S (C23 H20 N2 O6 S)

Compound Name

2-{3-acetyl-5-[2-(acetyloxy)-5-methylphenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl acetate

IUPAC name

2-{3-acetyl-5-[2-(acetyloxy)-5-methylphenyl]-23-dihydro-134-oxadiazol-2-yl}-1-benzothiophen-3-yl acetate

SMILES

CC(N1N=C(c(cc(C)cc2)c2OC(C)=O)OC1c(sc1c2cccc1)c2OC(C)=O)=O

InChI

InChI=1S/C23H20N2O6S/c1-12-9-10-18(29-14(3)27)17(11-12)22-24-25(13(2)26)23(31-22)21-20(30-15(4)28)16-7-5-6-8-19(16)32-21/h5-11,23H,1-4H3/t23-/m0/s1

InChI Key

RZVKXTJVIFFSPT-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15025738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.830

Distribution Coefficient, logD

3.830

Water Solubility, LogSw

-3.96

Polar Surface Area

77.760

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

G642-7685 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G642-7685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-7685?
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What is the minimum amount of G642-7685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-7685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-7685
  • 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 G642-7685 available by request