V017-0605 Screening compound: 1-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one

V017-0605 Screening compound: 1-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one
V017-0605 Screening compound: 1-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-0605
1-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-3,5,5-trimethylhexan-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

V017-0605

Molecular Formula

C22H31FN4O2 (C22 H31 FN4 O2)

Compound Name

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

IUPAC name

1-(4-{[5-(4-fluorophenyl)-124-oxadiazol-3-yl]methyl}piperazin-1-yl)-355-trimethylhexan-1-one

SMILES

CC(CC(C)(C)C)CC(N1CCN(Cc2noc(-c(cc3)ccc3F)n2)CC1)=O

InChI

InChI=1S/C22H31FN4O2/c1-16(14-22(2,3)4)13-20(28)27-11-9-26(10-12-27)15-19-24-21(29-25-19)17-5-7-18(23)8-6-17/h5-8,16H,9-15H2,1-4H3/t16-/m1/s1

InChI Key

STKMXTBOWGHAQN-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14286330

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

402.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.908

Distribution Coefficient, logD

3.908

Water Solubility, LogSw

-3.94

Polar Surface Area

52.839

Acid Dissociation Constant (pKa)

25.01

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

V017-0605 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V017-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-0605?
Check Price and Availability of V017-0605, 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 V017-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-0605
  • 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 V017-0605 available by request