G944-0720 Screening compound: 1-cyclopentyl-5-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole

G944-0720 Screening compound: 1-cyclopentyl-5-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole
G944-0720 Screening compound: 1-cyclopentyl-5-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0720
1-cyclopentyl-5-[5-(3-nitrophenyl)-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

G944-0720

Molecular Formula

C19H16N6O3 (C19 H16 N6 O3)

Compound Name

1-cyclopentyl-5-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole

IUPAC name

1-cyclopentyl-5-[5-(3-nitrophenyl)-124-oxadiazol-3-yl]-1H-123-benzotriazole

SMILES

[O-][N+](c1cc(-c2nc(-c(cc3)cc4c3n(C3CCCC3)nn4)no2)ccc1)=O

InChI

InChI=1S/C19H16N6O3/c26-25(27)15-7-3-4-13(10-15)19-20-18(22-28-19)12-8-9-17-16(11-12)21-23-24(17)14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2

InChI Key

DGEOXSZSZDJLBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.459

Distribution Coefficient, logD

4.459

Water Solubility, LogSw

-4.63

Polar Surface Area

90.787

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G944-0720 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G944-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0720?
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What is the minimum amount of G944-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0720
  • 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 G944-0720 available by request