P637-0381 Screening compound: N-(1-benzylpiperidin-4-yl)-2-({5-[(ethylcarbamoyl)amino]pyridin-2-yl}oxy)acetamide

P637-0381 Screening compound: N-(1-benzylpiperidin-4-yl)-2-({5-[(ethylcarbamoyl)amino]pyridin-2-yl}oxy)acetamide
P637-0381 Screening compound: N-(1-benzylpiperidin-4-yl)-2-({5-[(ethylcarbamoyl)amino]pyridin-2-yl}oxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P637-0381
N-(1-benzylpiperidin-4-yl)-2-({5-[(ethylcarbamoyl)amino]pyridin-2-yl}oxy)acetamide

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

P637-0381

Molecular Formula

C22H29N5O3 (C22 H29 N5 O3)

Compound Name

N-(1-benzylpiperidin-4-yl)-2-({5-[(ethylcarbamoyl)amino]pyridin-2-yl}oxy)acetamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-2-({5-[(ethylcarbamoyl)amino]pyridin-2-yl}oxy)acetamide

SMILES

CCNC(Nc(cc1)cnc1OCC(NC1CCN(Cc2ccccc2)CC1)=O)=O

InChI

InChI=1S/C22H29N5O3/c1-2-23-22(29)26-19-8-9-21(24-14-19)30-16-20(28)25-18-10-12-27(13-11-18)15-17-6-4-3-5-7-17/h3-9,14,18H,2,10-13,15-16H2,1H3,(H,25,28)(H2,23,26,29)

InChI Key

UAZNARJUAZJPFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.426

Distribution Coefficient, logD

0.869

Water Solubility, LogSw

-2.65

Polar Surface Area

77.764

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

P637-0381 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P637-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P637-0381?
Check Price and Availability of P637-0381, 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 P637-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P637-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P637-0381
  • 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 P637-0381 available by request