G944-0442 Screening compound: 5-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-1,2,3-benzotriazole

G944-0442 Screening compound: 5-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-1,2,3-benzotriazole
G944-0442 Screening compound: 5-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0442
5-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-propyl-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

G944-0442

Molecular Formula

C18H16FN5O2 (C18 H16 FN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCn1nnc2c1ccc(-c1noc(COc(cc3)ccc3F)n1)c2

InChI

InChI=1S/C18H16FN5O2/c1-2-9-24-16-8-3-12(10-15(16)21-23-24)18-20-17(26-22-18)11-25-14-6-4-13(19)5-7-14/h3-8,10H,2,9,11H2,1H3

InChI Key

ZYKCQXUYLNEIJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.931

Distribution Coefficient, logD

3.931

Water Solubility, LogSw

-3.94

Polar Surface Area

64.485

Acid Dissociation Constant (pKa)

26.63

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G944-0442 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G944-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0442?
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What is the minimum amount of G944-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0442
  • 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 G944-0442 available by request