P168-0939 Screening compound: 1-cyclohexyl-4-{1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}piperazine

P168-0939 Screening compound: 1-cyclohexyl-4-{1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}piperazine
P168-0939 Screening compound: 1-cyclohexyl-4-{1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P168-0939
1-cyclohexyl-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

P168-0939

Molecular Formula

C21H30N4O (C21 H30 N4 O)

Compound Name

1-cyclohexyl-4-{1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}piperazine

IUPAC name

1-cyclohexyl-4-{1-propyl-1H-pyrrolo[23-b]pyridine-3-carbonyl}piperazine

SMILES

CCCn1c(nccc2)c2c(C(N(CC2)CCN2C2CCCCC2)=O)c1

InChI

InChI=1S/C21H30N4O/c1-2-11-25-16-19(18-9-6-10-22-20(18)25)21(26)24-14-12-23(13-15-24)17-7-4-3-5-8-17/h6,9-10,16-17H,2-5,7-8,11-15H2,1H3

InChI Key

MKGYPDAJZDCNGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.916

Distribution Coefficient, logD

2.753

Water Solubility, LogSw

-2.97

Polar Surface Area

31.869

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

P168-0939 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

SmartTM Library (51161 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P168-0939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P168-0939?
Check Price and Availability of P168-0939, 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 P168-0939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P168-0939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P168-0939
  • 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 P168-0939 available by request