P117-1261 Screening compound: N~1~-(2-methylbenzyl)-2-(6-morpholino-1H-pyrrolo[2,3-b]pyridin-1-yl)acetamide

P117-1261 Screening compound: N~1~-(2-methylbenzyl)-2-(6-morpholino-1H-pyrrolo[2,3-b]pyridin-1-yl)acetamide
P117-1261 Screening compound: N~1~-(2-methylbenzyl)-2-(6-morpholino-1H-pyrrolo[2,3-b]pyridin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P117-1261
N~1~-(2-methylbenzyl)-2-(6-morpholino-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

P117-1261

Molecular Formula

C21H24N4O2 (C21 H24 N4 O2)

Compound Name

N~1~-(2-methylbenzyl)-2-(6-morpholino-1H-pyrrolo[2,3-b]pyridin-1-yl)acetamide

IUPAC name

N-[(2-methylphenyl)methyl]-2-[6-(morpholin-4-yl)-1H-pyrrolo[23-b]pyridin-1-yl]acetamide

SMILES

Cc1c(CNC(Cn2c3nc(N4CCOCC4)ccc3cc2)=O)cccc1

InChI

InChI=1S/C21H24N4O2/c1-16-4-2-3-5-18(16)14-22-20(26)15-25-9-8-17-6-7-19(23-21(17)25)24-10-12-27-13-11-24/h2-9H,10-15H2,1H3,(H,22,26)

InChI Key

UCJFDLSVWOEKBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.695

Distribution Coefficient, logD

3.632

Water Solubility, LogSw

-3.81

Polar Surface Area

46.848

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

P117-1261 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Hsp90-Targeted Library (11355 compounds)

PI3K-Targeted Library (17255 compounds)

STING Agonist Library (5895 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Immune system
Targets:
  • Others
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with P117-1261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P117-1261?
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What is the minimum amount of P117-1261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P117-1261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P117-1261
  • 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 P117-1261 available by request