P168-1044 Screening compound: 1-(1-methylpiperidin-4-yl)-4-{1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}piperazine

P168-1044 Screening compound: 1-(1-methylpiperidin-4-yl)-4-{1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}piperazine
P168-1044 Screening compound: 1-(1-methylpiperidin-4-yl)-4-{1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P168-1044
1-(1-methylpiperidin-4-yl)-4-{1-propyl-1H-pyrrolo[2,3-b]pyridine-3-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

P168-1044

Molecular Formula

C21H31N5O (C21 H31 N5 O)

Compound Name

1-(1-methylpiperidin-4-yl)-4-{1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}piperazine

IUPAC name

1-(1-methylpiperidin-4-yl)-4-{1-propyl-1H-pyrrolo[23-b]pyridine-3-carbonyl}piperazine

SMILES

CCCn1c(nccc2)c2c(C(N(CC2)CCN2C2CCN(C)CC2)=O)c1

InChI

InChI=1S/C21H31N5O/c1-3-9-26-16-19(18-5-4-8-22-20(18)26)21(27)25-14-12-24(13-15-25)17-6-10-23(2)11-7-17/h4-5,8,16-17H,3,6-7,9-15H2,1-2H3

InChI Key

LWYZDBSDLZRWMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.310

Distribution Coefficient, logD

-0.305

Water Solubility, LogSw

-1.96

Polar Surface Area

35.345

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

9.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

P168-1044 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P168-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P168-1044?
Check Price and Availability of P168-1044, 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 P168-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P168-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P168-1044
  • 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 P168-1044 available by request