G944-0104 Screening compound: 5-{5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,2,3-benzotriazole

G944-0104 Screening compound: 5-{5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,2,3-benzotriazole
G944-0104 Screening compound: 5-{5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0104
5-{5-[(2-chloro-6-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

G944-0104

Molecular Formula

C16H11ClFN5O (C16 H11 ClFN5 O)

Compound Name

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

IUPAC name

5-{5-[(2-chloro-6-fluorophenyl)methyl]-124-oxadiazol-3-yl}-1-methyl-1H-123-benzotriazole

SMILES

Cn1nnc2c1ccc(-c1noc(Cc(c(F)ccc3)c3Cl)n1)c2

InChI

InChI=1S/C16H11ClFN5O/c1-23-14-6-5-9(7-13(14)20-22-23)16-19-15(24-21-16)8-10-11(17)3-2-4-12(10)18/h2-7H,8H2,1H3

InChI Key

APOSKBWPVDMBNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.75

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

3.858

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-4.34

Polar Surface Area

57.293

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with G944-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0104?
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What is the minimum amount of G944-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0104
  • 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 G944-0104 available by request