G944-0269 Screening compound: 1-ethyl-5-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole

G944-0269 Screening compound: 1-ethyl-5-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole
G944-0269 Screening compound: 1-ethyl-5-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0269
1-ethyl-5-[5-(3-methyl-4-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

G944-0269

Molecular Formula

C17H14N6O3 (C17 H14 N6 O3)

Compound Name

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

IUPAC name

1-ethyl-5-[5-(3-methyl-4-nitrophenyl)-124-oxadiazol-3-yl]-1H-123-benzotriazole

SMILES

CCn1nnc2c1ccc(-c1noc(-c(cc3)cc(C)c3[N+]([O-])=O)n1)c2

InChI

InChI=1S/C17H14N6O3/c1-3-22-15-7-4-11(9-13(15)19-21-22)16-18-17(26-20-16)12-5-6-14(23(24)25)10(2)8-12/h4-9H,3H2,1-2H3

InChI Key

IBIDAJNSWIVCLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.34

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

3.863

Distribution Coefficient, logD

3.863

Water Solubility, LogSw

-4.05

Polar Surface Area

90.147

Acid Dissociation Constant (pKa)

26.27

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G944-0269 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G944-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0269?
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What is the minimum amount of G944-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0269
  • 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 G944-0269 available by request