P394-1077 Screening compound: 6-[(1-propionyltetrahydro-1H-pyrrol-3-yl)oxy]nicotinamide

P394-1077 Screening compound: 6-[(1-propionyltetrahydro-1H-pyrrol-3-yl)oxy]nicotinamide
P394-1077 Screening compound: 6-[(1-propionyltetrahydro-1H-pyrrol-3-yl)oxy]nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P394-1077
6-[(1-propionyltetrahydro-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

P394-1077

Molecular Formula

C13H17N3O3 (C13 H17 N3 O3)

Compound Name

6-[(1-propionyltetrahydro-1H-pyrrol-3-yl)oxy]nicotinamide

IUPAC name

6-[(1-propanoylpyrrolidin-3-yl)oxy]pyridine-3-carboxamide

SMILES

CCC(N(CC1)CC1Oc(cc1)ncc1C(N)=O)=O

InChI

InChI=1S/C13H17N3O3/c1-2-12(17)16-6-5-10(8-16)19-11-4-3-9(7-15-11)13(14)18/h3-4,7,10H,2,5-6,8H2,1H3,(H2,14,18)/t10-/m0/s1

InChI Key

KHZMOQWRFBDYPJ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD28996239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.318

Distribution Coefficient, logD

0.318

Water Solubility, LogSw

-1.48

Polar Surface Area

66.289

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

P394-1077 in Drug Discovery

Included in Screening Libraries

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

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Eye
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P394-1077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P394-1077?
Check Price and Availability of P394-1077, 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 P394-1077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P394-1077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P394-1077
  • 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 P394-1077 available by request