P117-0087 Screening compound: N~1~-(4-methoxybenzyl)-2-(6-piperidino-1H-pyrrolo[2,3-b]pyridin-1-yl)acetamide

P117-0087 Screening compound: N~1~-(4-methoxybenzyl)-2-(6-piperidino-1H-pyrrolo[2,3-b]pyridin-1-yl)acetamide
P117-0087 Screening compound: N~1~-(4-methoxybenzyl)-2-(6-piperidino-1H-pyrrolo[2,3-b]pyridin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P117-0087
N~1~-(4-methoxybenzyl)-2-(6-piperidino-1H-pyrrolo[2,3-b]pyridin-1-yl)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

P117-0087

Molecular Formula

C22H26N4O2 (C22 H26 N4 O2)

Compound Name

N~1~-(4-methoxybenzyl)-2-(6-piperidino-1H-pyrrolo[2,3-b]pyridin-1-yl)acetamide

IUPAC name

n/a

SMILES

COc1ccc(CNC(Cn2c3nc(N4CCCCC4)ccc3cc2)=O)cc1

InChI

InChI=1S/C22H26N4O2/c1-28-19-8-5-17(6-9-19)15-23-21(27)16-26-14-11-18-7-10-20(24-22(18)26)25-12-3-2-4-13-25/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,23,27)

InChI Key

PXWQLKKUGSXMDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565620

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

3.948

Distribution Coefficient, logD

3.884

Water Solubility, LogSw

-4.03

Polar Surface Area

46.483

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

P117-0087 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with P117-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P117-0087?
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What is the minimum amount of P117-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P117-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P117-0087
  • 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 P117-0087 available by request