G642-6838 Screening compound: 1-(5-{2-[(4-bromophenyl)methoxy]phenyl}-2-(pyridin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one

G642-6838 Screening compound: 1-(5-{2-[(4-bromophenyl)methoxy]phenyl}-2-(pyridin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one
G642-6838 Screening compound: 1-(5-{2-[(4-bromophenyl)methoxy]phenyl}-2-(pyridin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-6838
1-(5-{2-[(4-bromophenyl)methoxy]phenyl}-2-(pyridin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one

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

G642-6838

Molecular Formula

C22H18BrN3O3 (C22 H18 BrN3 O3)

Compound Name

1-(5-{2-[(4-bromophenyl)methoxy]phenyl}-2-(pyridin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one

IUPAC name

1-(5-{2-[(4-bromophenyl)methoxy]phenyl}-2-(pyridin-4-yl)-23-dihydro-134-oxadiazol-3-yl)ethan-1-one

SMILES

CC(N1N=C(c(cccc2)c2OCc(cc2)ccc2Br)OC1c1ccncc1)=O

InChI

InChI=1S/C22H18BrN3O3/c1-15(27)26-22(17-10-12-24-13-11-17)29-21(25-26)19-4-2-3-5-20(19)28-14-16-6-8-18(23)9-7-16/h2-13,22H,14H2,1H3/t22-/m1/s1

InChI Key

UJEMBVKBHHBMCJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD15025648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.56

Polar Surface Area

51.994

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

G642-6838 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 G642-6838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-6838?
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What is the minimum amount of G642-6838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-6838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-6838
  • 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 G642-6838 available by request