G944-0629 Screening compound: N-{[3-(1-cyclopentyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide

G944-0629 Screening compound: N-{[3-(1-cyclopentyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide
G944-0629 Screening compound: N-{[3-(1-cyclopentyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0629
N-{[3-(1-cyclopentyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide

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

G944-0629

Molecular Formula

C22H22N6O2 (C22 H22 N6 O2)

Compound Name

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

IUPAC name

N-{[3-(1-cyclopentyl-1H-123-benzotriazol-5-yl)-124-oxadiazol-5-yl]methyl}-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(NCc1nc(-c(cc2)cc3c2n(C2CCCC2)nn3)no1)=O

InChI

InChI=1S/C22H22N6O2/c1-14-6-8-15(9-7-14)22(29)23-13-20-24-21(26-30-20)16-10-11-19-18(12-16)25-27-28(19)17-4-2-3-5-17/h6-12,17H,2-5,13H2,1H3,(H,23,29)

InChI Key

PLDWNWNQYJFKRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076661

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

4.188

Distribution Coefficient, logD

4.188

Water Solubility, LogSw

-4.21

Polar Surface Area

81.756

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G944-0629 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Lipid Metabolism Library (9174 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with G944-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0629?
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What is the minimum amount of G944-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0629
  • 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 G944-0629 available by request