G945-0279 Screening compound: 5-{5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-ethyl-1H-1,3-benzodiazole

G945-0279 Screening compound: 5-{5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-ethyl-1H-1,3-benzodiazole
G945-0279 Screening compound: 5-{5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-ethyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0279
5-{5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-ethyl-1H-1,3-benzodiazole

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

G945-0279

Molecular Formula

C22H24N4O3 (C22 H24 N4 O3)

Compound Name

5-{5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-ethyl-1H-1,3-benzodiazole

IUPAC name

5-{5-[(34-diethoxyphenyl)methyl]-124-oxadiazol-3-yl}-1-ethyl-1H-13-benzodiazole

SMILES

CCn1c(ccc(-c2noc(Cc(cc3)cc(OCC)c3OCC)n2)c2)c2nc1

InChI

InChI=1S/C22H24N4O3/c1-4-26-14-23-17-13-16(8-9-18(17)26)22-24-21(29-25-22)12-15-7-10-19(27-5-2)20(11-15)28-6-3/h7-11,13-14H,4-6,12H2,1-3H3

InChI Key

XGKXPQUAKNMCGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.900

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-4.03

Polar Surface Area

55.911

Acid Dissociation Constant (pKa)

24.49

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G945-0279 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with G945-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0279?
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What is the minimum amount of G945-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0279
  • 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 G945-0279 available by request