D400-0547 Screening compound: 1-(4-phenylpiperazin-1-yl)-2-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}ethan-1-one

D400-0547 Screening compound: 1-(4-phenylpiperazin-1-yl)-2-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}ethan-1-one
D400-0547 Screening compound: 1-(4-phenylpiperazin-1-yl)-2-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-0547
1-(4-phenylpiperazin-1-yl)-2-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}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

D400-0547

Molecular Formula

C23H26N4O3 (C23 H26 N4 O3)

Compound Name

1-(4-phenylpiperazin-1-yl)-2-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}ethan-1-one

IUPAC name

1-(4-phenylpiperazin-1-yl)-2-{3-[3-(propan-2-yl)-124-oxadiazol-5-yl]phenoxy}ethan-1-one

SMILES

CC(C)c1noc(-c2cccc(OCC(N(CC3)CCN3c3ccccc3)=O)c2)n1

InChI

InChI=1S/C23H26N4O3/c1-17(2)22-24-23(30-25-22)18-7-6-10-20(15-18)29-16-21(28)27-13-11-26(12-14-27)19-8-4-3-5-9-19/h3-10,15,17H,11-14,16H2,1-2H3

InChI Key

FHTVOKFZRRCVLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.639

Distribution Coefficient, logD

3.639

Water Solubility, LogSw

-3.77

Polar Surface Area

58.796

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D400-0547 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D400-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-0547?
Check Price and Availability of D400-0547, 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 D400-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-0547
  • 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 D400-0547 available by request