P642-0940 Screening compound: {3-[2-(1-azepanyl)-4-pyridyl]-1,2,4-oxadiazol-5-yl}(4-ethylpiperazino)methanone

P642-0940 Screening compound: {3-[2-(1-azepanyl)-4-pyridyl]-1,2,4-oxadiazol-5-yl}(4-ethylpiperazino)methanone
P642-0940 Screening compound: {3-[2-(1-azepanyl)-4-pyridyl]-1,2,4-oxadiazol-5-yl}(4-ethylpiperazino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P642-0940
{3-[2-(1-azepanyl)-4-pyridyl]-1,2,4-oxadiazol-5-yl}(4-ethylpiperazino)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

P642-0940

Molecular Formula

C20H28N6O2 (C20 H28 N6 O2)

Compound Name

{3-[2-(1-azepanyl)-4-pyridyl]-1,2,4-oxadiazol-5-yl}(4-ethylpiperazino)methanone

IUPAC name

1-{4-[5-(4-ethylpiperazine-1-carbonyl)-124-oxadiazol-3-yl]pyridin-2-yl}azepane

SMILES

CCN(CC1)CCN1C(c1nc(-c2cc(N3CCCCCC3)ncc2)no1)=O

InChI

InChI=1S/C20H28N6O2/c1-2-24-11-13-26(14-12-24)20(27)19-22-18(23-28-19)16-7-8-21-17(15-16)25-9-5-3-4-6-10-25/h7-8,15H,2-6,9-14H2,1H3

InChI Key

CPARLZPTZFRIQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

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

3.214

Distribution Coefficient, logD

3.040

Water Solubility, LogSw

-3.18

Polar Surface Area

64.396

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with P642-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P642-0940?
Check Price and Availability of P642-0940, 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 P642-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P642-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P642-0940
  • 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 P642-0940 available by request