D676-1369 Screening compound: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine

D676-1369 Screening compound: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine
D676-1369 Screening compound: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D676-1369
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}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

D676-1369

Molecular Formula

C25H23FN6O3 (C25 H23 FN6 O3)

Compound Name

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine

IUPAC name

1-[4-(5-cyclopropyl-124-oxadiazol-3-yl)benzoyl]-4-{[5-(4-fluorophenyl)-124-oxadiazol-3-yl]methyl}piperazine

SMILES

O=C(c(cc1)ccc1-c1noc(C2CC2)n1)N1CCN(Cc2noc(-c(cc3)ccc3F)n2)CC1

InChI

InChI=1S/C25H23FN6O3/c26-20-9-7-18(8-10-20)23-27-21(29-34-23)15-31-11-13-32(14-12-31)25(33)19-5-1-16(2-6-19)22-28-24(35-30-22)17-3-4-17/h1-2,5-10,17H,3-4,11-15H2

InChI Key

AUGDRDYPCUXSLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.957

Distribution Coefficient, logD

3.957

Water Solubility, LogSw

-4.12

Polar Surface Area

85.024

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

D676-1369 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D676-1369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D676-1369?
Check Price and Availability of D676-1369, 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 D676-1369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D676-1369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D676-1369
  • 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 D676-1369 available by request