P809-1031 Screening compound: 2-(3-methoxyphenyl)-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}acetamide

P809-1031 Screening compound: 2-(3-methoxyphenyl)-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}acetamide
P809-1031 Screening compound: 2-(3-methoxyphenyl)-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P809-1031
2-(3-methoxyphenyl)-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-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

P809-1031

Molecular Formula

C20H22N4O2S (C20 H22 N4 O2 S)

Compound Name

2-(3-methoxyphenyl)-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}acetamide

IUPAC name

2-(3-methoxyphenyl)-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}acetamide

SMILES

COc1cccc(CC(NC(CC2)CN2c2cc(-c3cccs3)n[nH]2)=O)c1

InChI

InChI=1S/C20H22N4O2S/c1-26-16-5-2-4-14(10-16)11-20(25)21-15-7-8-24(13-15)19-12-17(22-23-19)18-6-3-9-27-18/h2-6,9-10,12,15H,7-8,11,13H2,1H3,(H,21,25)(H,22,23)/t15-/m1/s1

InChI Key

OMAQLAGJVMZOIM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD28997850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.191

Distribution Coefficient, logD

3.191

Water Solubility, LogSw

-3.43

Polar Surface Area

58.239

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

P809-1031 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer

References: we are preparing a list of scientific research reports with P809-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P809-1031?
Check Price and Availability of P809-1031, 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 P809-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P809-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P809-1031
  • 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 P809-1031 available by request