G945-0125 Screening compound: 1-methyl-5-{5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole

G945-0125 Screening compound: 1-methyl-5-{5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole
G945-0125 Screening compound: 1-methyl-5-{5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0125
1-methyl-5-{5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-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

G945-0125

Molecular Formula

C18H16N4O2 (C18 H16 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OCc2nc(-c(cc3)cc4c3n(C)cn4)no2)c1

InChI

InChI=1S/C18H16N4O2/c1-12-4-3-5-14(8-12)23-10-17-20-18(21-24-17)13-6-7-16-15(9-13)19-11-22(16)2/h3-9,11H,10H2,1-2H3

InChI Key

UGRUHTPWRQLRCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

3.896

Water Solubility, LogSw

-4.03

Polar Surface Area

49.821

Acid Dissociation Constant (pKa)

26.85

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G945-0125 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G945-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0125?
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What is the minimum amount of G945-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0125
  • 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 G945-0125 available by request