G944-0718 Screening compound: N-{1-[3-(1-cyclopentyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

G944-0718 Screening compound: N-{1-[3-(1-cyclopentyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
G944-0718 Screening compound: N-{1-[3-(1-cyclopentyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0718
N-{1-[3-(1-cyclopentyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

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

G944-0718

Molecular Formula

C22H22N6O2 (C22 H22 N6 O2)

Compound Name

N-{1-[3-(1-cyclopentyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

IUPAC name

N-{1-[3-(1-cyclopentyl-1H-123-benzotriazol-5-yl)-124-oxadiazol-5-yl]ethyl}benzamide

SMILES

CC(c1nc(-c(cc2)cc3c2n(C2CCCC2)nn3)no1)NC(c1ccccc1)=O

InChI

InChI=1S/C22H22N6O2/c1-14(23-21(29)15-7-3-2-4-8-15)22-24-20(26-30-22)16-11-12-19-18(13-16)25-27-28(19)17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,29)/t14-/m0/s1

InChI Key

APQOWOGIGYUZOB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15076663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.12

Polar Surface Area

81.254

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

G944-0718 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G944-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0718?
Check Price and Availability of G944-0718, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G944-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0718
  • 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 G944-0718 available by request