P642-0901 Screening compound: 1-(2-methylphenyl)-4-{3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}piperazine

P642-0901 Screening compound: 1-(2-methylphenyl)-4-{3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}piperazine
P642-0901 Screening compound: 1-(2-methylphenyl)-4-{3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P642-0901
1-(2-methylphenyl)-4-{3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}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

P642-0901

Molecular Formula

C25H30N6O2 (C25 H30 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1c1nccc(-c2noc(C(N(CC3)CCN3c3c(C)cccc3)=O)n2)c1

InChI

InChI=1S/C25H30N6O2/c1-18-8-11-30(12-9-18)22-17-20(7-10-26-22)23-27-24(33-28-23)25(32)31-15-13-29(14-16-31)21-6-4-3-5-19(21)2/h3-7,10,17-18H,8-9,11-16H2,1-2H3

InChI Key

RBKJAOCROOXNCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.143

Distribution Coefficient, logD

5.143

Water Solubility, LogSw

-5.07

Polar Surface Area

63.487

Acid Dissociation Constant (pKa)

23.03

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

P642-0901 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P642-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P642-0901?
Check Price and Availability of P642-0901, 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 P642-0901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P642-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P642-0901
  • 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 P642-0901 available by request