P642-0778 Screening compound: 1-{3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}-4-(pyridin-2-yl)piperazine

P642-0778 Screening compound: 1-{3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}-4-(pyridin-2-yl)piperazine
P642-0778 Screening compound: 1-{3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P642-0778
1-{3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}-4-(pyridin-2-yl)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

P642-0778

Molecular Formula

C23H27N7O2 (C23 H27 N7 O2)

Compound Name

1-{3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}-4-(pyridin-2-yl)piperazine

IUPAC name

1-{3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-124-oxadiazole-5-carbonyl}-4-(pyridin-2-yl)piperazine

SMILES

CC(CC1)CCN1c1nccc(-c2noc(C(N(CC3)CCN3c3ncccc3)=O)n2)c1

InChI

InChI=1S/C23H27N7O2/c1-17-6-10-28(11-7-17)20-16-18(5-9-25-20)21-26-22(32-27-21)23(31)30-14-12-29(13-15-30)19-4-2-3-8-24-19/h2-5,8-9,16-17H,6-7,10-15H2,1H3

InChI Key

LLYWHJZZGNKVDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.188

Distribution Coefficient, logD

4.180

Water Solubility, LogSw

-4.19

Polar Surface Area

72.299

Acid Dissociation Constant (pKa)

23.03

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

P642-0778 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P642-0778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P642-0778?
Check Price and Availability of P642-0778, 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 P642-0778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P642-0778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P642-0778
  • 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 P642-0778 available by request