G642-5985 Screening compound: 2-(4-acetyl-5-{[N-(4-chloro-2-methylphenyl)acetamido]methyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-methoxyphenyl acetate

G642-5985 Screening compound: 2-(4-acetyl-5-{[N-(4-chloro-2-methylphenyl)acetamido]methyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-methoxyphenyl acetate
G642-5985 Screening compound: 2-(4-acetyl-5-{[N-(4-chloro-2-methylphenyl)acetamido]methyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-5985
2-(4-acetyl-5-{[N-(4-chloro-2-methylphenyl)acetamido]methyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-methoxyphenyl 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

G642-5985

Molecular Formula

C23H24ClN3O6 (C23 H24 ClN3 O6)

Compound Name

2-(4-acetyl-5-{[N-(4-chloro-2-methylphenyl)acetamido]methyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-methoxyphenyl acetate

IUPAC name

2-(4-acetyl-5-{[N-(4-chloro-2-methylphenyl)acetamido]methyl}-45-dihydro-134-oxadiazol-2-yl)-4-methoxyphenyl acetate

SMILES

CC(N(CC1OC(c(cc(cc2)OC)c2OC(C)=O)=NN1C(C)=O)c(cc1)c(C)cc1Cl)=O

InChI

InChI=1S/C23H24ClN3O6/c1-13-10-17(24)6-8-20(13)26(14(2)28)12-22-27(15(3)29)25-23(33-22)19-11-18(31-5)7-9-21(19)32-16(4)30/h6-11,22H,12H2,1-5H3/t22-/m0/s1

InChI Key

SBUWTFZUCFWUEE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15025511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.811

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-4.40

Polar Surface Area

79.889

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

G642-5985 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 G642-5985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-5985?
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What is the minimum amount of G642-5985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-5985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-5985
  • 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 G642-5985 available by request