P809-1027 Screening compound: N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}pyridine-4-carboxamide

P809-1027 Screening compound: N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}pyridine-4-carboxamide
P809-1027 Screening compound: N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P809-1027
N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}pyridine-4-carboxamide

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

P809-1027

Molecular Formula

C17H17N5OS (C17 H17 N5 OS)

Compound Name

N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}pyridine-4-carboxamide

IUPAC name

N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}pyridine-4-carboxamide

SMILES

O=C(c1ccncc1)NC(CC1)CN1c1cc(-c2cccs2)n[nH]1

InChI

InChI=1S/C17H17N5OS/c23-17(12-3-6-18-7-4-12)19-13-5-8-22(11-13)16-10-14(20-21-16)15-2-1-9-24-15/h1-4,6-7,9-10,13H,5,8,11H2,(H,19,23)(H,20,21)/t13-/m1/s1

InChI Key

SRLZQAPXMYAHHB-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29011643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.997

Distribution Coefficient, logD

1.996

Water Solubility, LogSw

-2.17

Polar Surface Area

60.337

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

P809-1027 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P809-1027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P809-1027?
Check Price and Availability of P809-1027, 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 P809-1027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P809-1027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P809-1027
  • 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 P809-1027 available by request