G642-0151 Screening compound: 4-[3-acetyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]benzonitrile

G642-0151 Screening compound: 4-[3-acetyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]benzonitrile
G642-0151 Screening compound: 4-[3-acetyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-0151
4-[3-acetyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]benzonitrile

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

G642-0151

Molecular Formula

C17H12N4O4 (C17 H12 N4 O4)

Compound Name

4-[3-acetyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]benzonitrile

IUPAC name

4-[3-acetyl-5-(3-nitrophenyl)-23-dihydro-134-oxadiazol-2-yl]benzonitrile

SMILES

CC(N1N=C(c2cccc([N+]([O-])=O)c2)OC1c(cc1)ccc1C#N)=O

InChI

InChI=1S/C17H12N4O4/c1-11(22)20-17(13-7-5-12(10-18)6-8-13)25-16(19-20)14-3-2-4-15(9-14)21(23)24/h2-9,17H,1H3/t17-/m1/s1

InChI Key

HWQVQMGHYQPASF-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD15025046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.869

Distribution Coefficient, logD

2.869

Water Solubility, LogSw

-3.25

Polar Surface Area

85.689

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with G642-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-0151?
Check Price and Availability of G642-0151, 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 G642-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-0151
  • 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 G642-0151 available by request