D676-0417 Screening compound: 1-(4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-2-phenylbutan-1-one

D676-0417 Screening compound: 1-(4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-2-phenylbutan-1-one
D676-0417 Screening compound: 1-(4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-2-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D676-0417
1-(4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-2-phenylbutan-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

D676-0417

Molecular Formula

C24H28N4O2 (C24 H28 N4 O2)

Compound Name

1-(4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-2-phenylbutan-1-one

IUPAC name

1-(4-{[5-(4-methylphenyl)-124-oxadiazol-3-yl]methyl}piperazin-1-yl)-2-phenylbutan-1-one

SMILES

CCC(C(N1CCN(Cc2noc(-c3ccc(C)cc3)n2)CC1)=O)c1ccccc1

InChI

InChI=1S/C24H28N4O2/c1-3-21(19-7-5-4-6-8-19)24(29)28-15-13-27(14-16-28)17-22-25-23(30-26-22)20-11-9-18(2)10-12-20/h4-12,21H,3,13-17H2,1-2H3/t21-/m1/s1

InChI Key

RRRIIJGSGLRYHP-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27595686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.086

Distribution Coefficient, logD

4.086

Water Solubility, LogSw

-4.02

Polar Surface Area

53.095

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D676-0417 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D676-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D676-0417?
Check Price and Availability of D676-0417, 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 D676-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D676-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D676-0417
  • 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 D676-0417 available by request