G944-0056 Screening compound: 5-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,2,3-benzotriazole

G944-0056 Screening compound: 5-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,2,3-benzotriazole
G944-0056 Screening compound: 5-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0056
5-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,2,3-benzotriazole

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

G944-0056

Molecular Formula

C16H12FN5O (C16 H12 FN5 O)

Compound Name

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

IUPAC name

5-{5-[(4-fluorophenyl)methyl]-124-oxadiazol-3-yl}-1-methyl-1H-123-benzotriazole

SMILES

Cn1nnc2c1ccc(-c1noc(Cc(cc3)ccc3F)n1)c2

InChI

InChI=1S/C16H12FN5O/c1-22-14-7-4-11(9-13(14)19-21-22)16-18-15(23-20-16)8-10-2-5-12(17)6-3-10/h2-7,9H,8H2,1H3

InChI Key

JVSFWRSIGRLAMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.202

Distribution Coefficient, logD

3.202

Water Solubility, LogSw

-3.22

Polar Surface Area

57.293

Acid Dissociation Constant (pKa)

28.49

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G944-0056 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G944-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0056?
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What is the minimum amount of G944-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0056
  • 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 G944-0056 available by request