G221-0052 Screening compound: 1-benzyl-4-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine

G221-0052 Screening compound: 1-benzyl-4-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
G221-0052 Screening compound: 1-benzyl-4-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G221-0052
1-benzyl-4-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine

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

G221-0052

Molecular Formula

C26H25FN4O (C26 H25 FN4 O)

Compound Name

1-benzyl-4-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine

IUPAC name

1-benzyl-4-[(4-fluorophenyl)(5-phenyl-134-oxadiazol-2-yl)methyl]piperazine

SMILES

Fc1ccc(C(c2nnc(-c3ccccc3)o2)N2CCN(Cc3ccccc3)CC2)cc1

InChI

InChI=1S/C26H25FN4O/c27-23-13-11-21(12-14-23)24(26-29-28-25(32-26)22-9-5-2-6-10-22)31-17-15-30(16-18-31)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2/t24-/m1/s1

InChI Key

NZALYTSLTXWZRB-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14988453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.625

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.51

Polar Surface Area

37.048

Acid Dissociation Constant (pKa)

26.61

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

G221-0052 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G221-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G221-0052?
Check Price and Availability of G221-0052, 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 G221-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G221-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G221-0052
  • 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 G221-0052 available by request