P705-0578 Screening compound: (1-{4-[3-(tert-butyl)-1,2,4-oxadiazol-5-yl]-2-pyridyl}-1H-imidazol-4-yl)(3-methylpiperidino)methanone

P705-0578 Screening compound: (1-{4-[3-(tert-butyl)-1,2,4-oxadiazol-5-yl]-2-pyridyl}-1H-imidazol-4-yl)(3-methylpiperidino)methanone
P705-0578 Screening compound: (1-{4-[3-(tert-butyl)-1,2,4-oxadiazol-5-yl]-2-pyridyl}-1H-imidazol-4-yl)(3-methylpiperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P705-0578
(1-{4-[3-(tert-butyl)-1,2,4-oxadiazol-5-yl]-2-pyridyl}-1H-imidazol-4-yl)(3-methylpiperidino)methanone

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

P705-0578

Molecular Formula

C21H26N6O2 (C21 H26 N6 O2)

Compound Name

(1-{4-[3-(tert-butyl)-1,2,4-oxadiazol-5-yl]-2-pyridyl}-1H-imidazol-4-yl)(3-methylpiperidino)methanone

IUPAC name

4-(3-tert-butyl-124-oxadiazol-5-yl)-2-[4-(3-methylpiperidine-1-carbonyl)-1H-imidazol-1-yl]pyridine

SMILES

CC(CCC1)CN1C(c(nc1)cn1-c1nccc(-c2nc(C(C)(C)C)no2)c1)=O

InChI

InChI=1S/C21H26N6O2/c1-14-6-5-9-26(11-14)19(28)16-12-27(13-23-16)17-10-15(7-8-22-17)18-24-20(25-29-18)21(2,3)4/h7-8,10,12-14H,5-6,9,11H2,1-4H3/t14-/m0/s1

InChI Key

XYESUDZEFHHBAI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27613024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.111

Distribution Coefficient, logD

4.110

Water Solubility, LogSw

-4.04

Polar Surface Area

69.247

Acid Dissociation Constant (pKa)

25.59

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

P705-0578 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 P705-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P705-0578?
Check Price and Availability of P705-0578, 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 P705-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P705-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P705-0578
  • 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 P705-0578 available by request