P168-1072 Screening compound: N-{[4-(morpholin-4-yl)phenyl]methyl}-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

P168-1072 Screening compound: N-{[4-(morpholin-4-yl)phenyl]methyl}-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
P168-1072 Screening compound: N-{[4-(morpholin-4-yl)phenyl]methyl}-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P168-1072
N-{[4-(morpholin-4-yl)phenyl]methyl}-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

P168-1072

Molecular Formula

C22H26N4O2 (C22 H26 N4 O2)

Compound Name

N-{[4-(morpholin-4-yl)phenyl]methyl}-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

IUPAC name

N-{[4-(morpholin-4-yl)phenyl]methyl}-1-propyl-1H-pyrrolo[23-b]pyridine-3-carboxamide

SMILES

CCCn1c(nccc2)c2c(C(NCc(cc2)ccc2N2CCOCC2)=O)c1

InChI

InChI=1S/C22H26N4O2/c1-2-10-26-16-20(19-4-3-9-23-21(19)26)22(27)24-15-17-5-7-18(8-6-17)25-11-13-28-14-12-25/h3-9,16H,2,10-15H2,1H3,(H,24,27)

InChI Key

DCNSDQPAJZZJNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.719

Distribution Coefficient, logD

2.718

Water Solubility, LogSw

-2.96

Polar Surface Area

47.901

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

P168-1072 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P168-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P168-1072?
Check Price and Availability of P168-1072, 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 P168-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P168-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P168-1072
  • 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 P168-1072 available by request