G221-0972 Screening compound: 1-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-4-(2,3-dimethylphenyl)piperazine

G221-0972 Screening compound: 1-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-4-(2,3-dimethylphenyl)piperazine
G221-0972 Screening compound: 1-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-4-(2,3-dimethylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G221-0972
1-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-4-(2,3-dimethylphenyl)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

G221-0972

Molecular Formula

C27H27ClN4O (C27 H27 ClN4 O)

Compound Name

1-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-4-(2,3-dimethylphenyl)piperazine

IUPAC name

1-{[5-(4-chlorophenyl)-134-oxadiazol-2-yl](phenyl)methyl}-4-(23-dimethylphenyl)piperazine

SMILES

Cc1cccc(N(CC2)CCN2C(c2nnc(-c(cc3)ccc3Cl)o2)c2ccccc2)c1C

InChI

InChI=1S/C27H27ClN4O/c1-19-7-6-10-24(20(19)2)31-15-17-32(18-16-31)25(21-8-4-3-5-9-21)27-30-29-26(33-27)22-11-13-23(28)14-12-22/h3-14,25H,15-18H2,1-2H3/t25-/m1/s1

InChI Key

JEKPGQGMSHJDHH-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14988697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.743

Distribution Coefficient, logD

6.743

Water Solubility, LogSw

-6.53

Polar Surface Area

36.467

Acid Dissociation Constant (pKa)

27.08

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

G221-0972 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G221-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G221-0972?
Check Price and Availability of G221-0972, 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 G221-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G221-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G221-0972
  • 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 G221-0972 available by request