G944-0705 Screening compound: 1-cyclopentyl-5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole

G944-0705 Screening compound: 1-cyclopentyl-5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole
G944-0705 Screening compound: 1-cyclopentyl-5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0705
1-cyclopentyl-5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-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

G944-0705

Molecular Formula

C23H22N6O (C23 H22 N6 O)

Compound Name

1-cyclopentyl-5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole

IUPAC name

1-cyclopentyl-5-{5-[2-(1H-indol-3-yl)ethyl]-124-oxadiazol-3-yl}-1H-123-benzotriazole

SMILES

C(Cc1nc(-c(cc2)cc3c2n(C2CCCC2)nn3)no1)c1c[nH]c2c1cccc2

InChI

InChI=1S/C23H22N6O/c1-2-6-17(5-1)29-21-11-9-15(13-20(21)26-28-29)23-25-22(30-27-23)12-10-16-14-24-19-8-4-3-7-18(16)19/h3-4,7-9,11,13-14,17,24H,1-2,5-6,10,12H2

InChI Key

JWMZFDPEKOVCGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.217

Distribution Coefficient, logD

5.217

Water Solubility, LogSw

-5.77

Polar Surface Area

66.942

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G944-0705 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

KRAS-Targeted Library (16000 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G944-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0705?
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What is the minimum amount of G944-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0705
  • 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 G944-0705 available by request