G945-0104 Screening compound: 5-{5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,3-benzodiazole

G945-0104 Screening compound: 5-{5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,3-benzodiazole
G945-0104 Screening compound: 5-{5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0104
5-{5-[(2-chloro-6-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

G945-0104

Molecular Formula

C17H12ClFN4O (C17 H12 ClFN4 O)

Compound Name

5-{5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,3-benzodiazole

IUPAC name

5-{5-[(2-chloro-6-fluorophenyl)methyl]-124-oxadiazol-3-yl}-1-methyl-1H-13-benzodiazole

SMILES

Cn1c(ccc(-c2noc(Cc(c(F)ccc3)c3Cl)n2)c2)c2nc1

InChI

InChI=1S/C17H12ClFN4O/c1-23-9-20-14-7-10(5-6-15(14)23)17-21-16(24-22-17)8-11-12(18)3-2-4-13(11)19/h2-7,9H,8H2,1H3

InChI Key

FWWPCWMIFMVUDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.76

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

4.304

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.54

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

G945-0104 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G945-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0104?
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What is the minimum amount of G945-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0104
  • 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 G945-0104 available by request