P168-0981 Screening compound: N-(1-benzylpiperidin-4-yl)-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

P168-0981 Screening compound: N-(1-benzylpiperidin-4-yl)-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
P168-0981 Screening compound: N-(1-benzylpiperidin-4-yl)-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P168-0981
N-(1-benzylpiperidin-4-yl)-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

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

P168-0981

Molecular Formula

C23H28N4O (C23 H28 N4 O)

Compound Name

N-(1-benzylpiperidin-4-yl)-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-1-propyl-1H-pyrrolo[23-b]pyridine-3-carboxamide

SMILES

CCCn1c(nccc2)c2c(C(NC2CCN(Cc3ccccc3)CC2)=O)c1

InChI

InChI=1S/C23H28N4O/c1-2-13-27-17-21(20-9-6-12-24-22(20)27)23(28)25-19-10-14-26(15-11-19)16-18-7-4-3-5-8-18/h3-9,12,17,19H,2,10-11,13-16H2,1H3,(H,25,28)

InChI Key

WACFMCBYEZAYAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.247

Distribution Coefficient, logD

1.802

Water Solubility, LogSw

-3.36

Polar Surface Area

39.806

Acid Dissociation Constant (pKa)

16.61

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

P168-0981 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P168-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P168-0981?
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What is the minimum amount of P168-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P168-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P168-0981
  • 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 P168-0981 available by request