P394-1100 Screening compound: N~3~-ethyl-6-{[1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]oxy}nicotinamide

P394-1100 Screening compound: N~3~-ethyl-6-{[1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]oxy}nicotinamide
P394-1100 Screening compound: N~3~-ethyl-6-{[1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]oxy}nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P394-1100
N~3~-ethyl-6-{[1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]oxy}nicotinamide

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

P394-1100

Molecular Formula

C18H22N4O2 (C18 H22 N4 O2)

Compound Name

N~3~-ethyl-6-{[1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]oxy}nicotinamide

IUPAC name

n/a

SMILES

CCNC(c(cc1)cnc1OC1CN(Cc2ncccc2)CC1)=O

InChI

InChI=1S/C18H22N4O2/c1-2-19-18(23)14-6-7-17(21-11-14)24-16-8-10-22(13-16)12-15-5-3-4-9-20-15/h3-7,9,11,16H,2,8,10,12-13H2,1H3,(H,19,23)/t16-/m0/s1

InChI Key

ATHQJQVTZJEHFE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD28996245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.955

Distribution Coefficient, logD

0.796

Water Solubility, LogSw

-1.94

Polar Surface Area

53.424

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

P394-1100 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P394-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P394-1100?
Check Price and Availability of P394-1100, 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 P394-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P394-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P394-1100
  • 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 P394-1100 available by request