D676-5045 Screening compound: 1-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-3,3,3-trifluoropropan-1-one

D676-5045 Screening compound: 1-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-3,3,3-trifluoropropan-1-one
D676-5045 Screening compound: 1-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-3,3,3-trifluoropropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D676-5045
1-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-3,3,3-trifluoropropan-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

D676-5045

Molecular Formula

C16H16ClF3N4O2 (C16 H16 ClF3 N4 O2)

Compound Name

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

IUPAC name

1-(4-{[5-(3-chlorophenyl)-124-oxadiazol-3-yl]methyl}piperazin-1-yl)-333-trifluoropropan-1-one

SMILES

O=C(CC(F)(F)F)N1CCN(Cc2noc(-c3cccc(Cl)c3)n2)CC1

InChI

InChI=1S/C16H16ClF3N4O2/c17-12-3-1-2-11(8-12)15-21-13(22-26-15)10-23-4-6-24(7-5-23)14(25)9-16(18,19)20/h1-3,8H,4-7,9-10H2

InChI Key

BONJJWWEFKWTHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.558

Distribution Coefficient, logD

2.558

Water Solubility, LogSw

-3.23

Polar Surface Area

52.839

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D676-5045 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 D676-5045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D676-5045?
Check Price and Availability of D676-5045, 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 D676-5045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D676-5045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D676-5045
  • 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 D676-5045 available by request