G945-0056 Screening compound: 5-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,3-benzodiazole

G945-0056 Screening compound: 5-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,3-benzodiazole
G945-0056 Screening compound: 5-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0056
5-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-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

G945-0056

Molecular Formula

C17H13FN4O (C17 H13 FN4 O)

Compound Name

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

IUPAC name

5-{5-[(4-fluorophenyl)methyl]-124-oxadiazol-3-yl}-1-methyl-1H-13-benzodiazole

SMILES

Cn1c(ccc(-c2noc(Cc(cc3)ccc3F)n2)c2)c2nc1

InChI

InChI=1S/C17H13FN4O/c1-22-10-19-14-9-12(4-7-15(14)22)17-20-16(23-21-17)8-11-2-5-13(18)6-3-11/h2-7,9-10H,8H2,1H3

InChI Key

SHIIGFDLMONTNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-4.01

Polar Surface Area

42.322

Acid Dissociation Constant (pKa)

26.85

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G945-0056 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with G945-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0056?
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What is the minimum amount of G945-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0056
  • 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 G945-0056 available by request