G642-6949 Screening compound: 1-{4-acetyl-5-[3-(3-chlorobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}naphthalen-2-yl acetate

G642-6949 Screening compound: 1-{4-acetyl-5-[3-(3-chlorobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}naphthalen-2-yl acetate
G642-6949 Screening compound: 1-{4-acetyl-5-[3-(3-chlorobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}naphthalen-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-6949
1-{4-acetyl-5-[3-(3-chlorobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}naphthalen-2-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

G642-6949

Molecular Formula

C29H22ClN3O5 (C29 H22 ClN3 O5)

Compound Name

1-{4-acetyl-5-[3-(3-chlorobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}naphthalen-2-yl acetate

IUPAC name

1-{4-acetyl-5-[3-(3-chlorobenzamido)phenyl]-45-dihydro-134-oxadiazol-2-yl}naphthalen-2-yl acetate

SMILES

CC(N1N=C(c(c2ccccc2cc2)c2OC(C)=O)OC1c1cccc(NC(c2cccc(Cl)c2)=O)c1)=O

InChI

InChI=1S/C29H22ClN3O5/c1-17(34)33-29(21-9-6-11-23(16-21)31-27(36)20-8-5-10-22(30)15-20)38-28(32-33)26-24-12-4-3-7-19(24)13-14-25(26)37-18(2)35/h3-16,29H,1-2H3,(H,31,36)/t29-/m0/s1

InChI Key

RQMUVDCKQXUXIK-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD15025659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.353

Distribution Coefficient, logD

5.352

Water Solubility, LogSw

-6.44

Polar Surface Area

78.909

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.30

G642-6949 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 G642-6949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-6949?
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What is the minimum amount of G642-6949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-6949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-6949
  • 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 G642-6949 available by request