G642-0053 Screening compound: 1-(5-{[1,1'-biphenyl]-4-yl}-2-(2-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one

G642-0053 Screening compound: 1-(5-{[1,1'-biphenyl]-4-yl}-2-(2-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one
G642-0053 Screening compound: 1-(5-{[1,1'-biphenyl]-4-yl}-2-(2-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-0053
1-(5-{[1,1'-biphenyl]-4-yl}-2-(2-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one

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

G642-0053

Molecular Formula

C22H17N3O4 (C22 H17 N3 O4)

Compound Name

1-(5-{[1,1'-biphenyl]-4-yl}-2-(2-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one

IUPAC name

1-(5-{[11'-biphenyl]-4-yl}-2-(2-nitrophenyl)-23-dihydro-134-oxadiazol-3-yl)ethan-1-one

SMILES

CC(N1N=C(c(cc2)ccc2-c2ccccc2)OC1c(cccc1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C22H17N3O4/c1-15(26)24-22(19-9-5-6-10-20(19)25(27)28)29-21(23-24)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,22H,1H3/t22-/m0/s1

InChI Key

HUNNYBXSNQXKKT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15025013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.802

Distribution Coefficient, logD

4.802

Water Solubility, LogSw

-4.82

Polar Surface Area

68.060

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

G642-0053 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G642-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-0053?
Check Price and Availability of G642-0053, 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 G642-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-0053
  • 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 G642-0053 available by request