G642-5879 Screening compound: 2-(4-acetyl-5-{[N-(4-methylphenyl)acetamido]methyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl acetate

G642-5879 Screening compound: 2-(4-acetyl-5-{[N-(4-methylphenyl)acetamido]methyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl acetate
G642-5879 Screening compound: 2-(4-acetyl-5-{[N-(4-methylphenyl)acetamido]methyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-5879
2-(4-acetyl-5-{[N-(4-methylphenyl)acetamido]methyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl 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

G642-5879

Molecular Formula

C22H23N3O5 (C22 H23 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CC1OC(c(cccc2)c2OC(C)=O)=NN1C(C)=O)c1ccc(C)cc1)=O

InChI

InChI=1S/C22H23N3O5/c1-14-9-11-18(12-10-14)24(15(2)26)13-21-25(16(3)27)23-22(30-21)19-7-5-6-8-20(19)29-17(4)28/h5-12,21H,13H2,1-4H3/t21-/m1/s1

InChI Key

MLMBCNZPMCKPOY-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD15025491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.625

Distribution Coefficient, logD

2.625

Water Solubility, LogSw

-3.33

Polar Surface Area

72.646

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

G642-5879 in Drug Discovery

Included in Screening Libraries

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 G642-5879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-5879?
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What is the minimum amount of G642-5879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-5879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-5879
  • 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 G642-5879 available by request